Record Information
Version1.0
Creation date2010-04-08 22:04:46 UTC
Update date2020-04-21 18:03:36 UTC
Primary IDFDB000933
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name1H-Indole-3-acetic acid
DescriptionWidely distributed in higher plants Indole-3-acetic acid, also known as IAA, is a heterocyclic compound that is a phytohormone called auxin. This colourless solid is probably the most important plant auxin. The molecule is derived from indole, containing a carboxymethyl group (acetic acid). 1H-Indole-3-acetic acid is found in many foods, some of which are lettuce, cherry tomato, chinese bayberry, and okra.
CAS Number87-51-4
Structure
Thumb
Synonyms
SynonymSource
(indol-3-yl)AcetateChEBI
(indol-3-yl)Acetic acidChEBI
2-(indol-3-yl)Ethanoic acidChEBI
3-IndolylessigsaeureChEBI
HeteroauxinChEBI
IAAChEBI
IESChEBI
Indole-3-acetic acidKegg
IndoleacetateKegg
(1H-indol-3-yl)AcetateKegg
2-(indol-3-yl)EthanoateGenerator
Indole-3-acetateGenerator
(1H-indol-3-yl)Acetic acidGenerator
(1H-indol-3-yl)-AcetateHMDB
(1H-indol-3-yl)-Acetic acidHMDB
1H-indol-3-YlacetateHMDB
1H-indol-3-Ylacetic acidHMDB
1H-Indole-3-acetateHMDB
1H-Indole-3-acetic acidHMDB
2-(1H-indol-3-yl)AcetateHMDB
2-(1H-indol-3-yl)Acetic acidHMDB
2-(3-Indolyl)acetateHMDB
2-(3-Indolyl)acetic acidHMDB
3-(Carboxymethyl)indoleHMDB
3-IAAHMDB
3-Indole-acetic acidHMDB
3-IndoleacetateHMDB
3-Indoleacetic acidHMDB
3-IndolylacetateHMDB
3-Indolylacetic acidHMDB
alpha-indol-3-yl-Acetic acidHMDB
b-IndoleacetateHMDB
b-Indoleacetic acidHMDB
b-IndolylacetateHMDB
b-Indolylacetic acidHMDB
beta-Indole-3-acetic acidHMDB
beta-IndoleacetateHMDB
beta-Indoleacetic acidHMDB
beta-IndolylacetateHMDB
beta-Indolylacetic acidHMDB
indol-3-YlacetateHMDB
indol-3-Ylacetic acidHMDB
Indolyl-3-acetateHMDB
Indolyl-3-acetic acidHMDB
IndolylacetateHMDB
Indolylacetic acidHMDB
Kyselina 3-indolyloctovaHMDB
RhizopinHMDB
Rhizopon aHMDB
Skatole carboxylateHMDB
Skatole carboxylic acidHMDB
Indoleacetic acid, calcium saltHMDB
Indoleacetic acid, monopotassium saltHMDB
Indoleacetic acid, monosodium saltHMDB
IES CPDHMDB
Indole acetic acidHMDB
Indoleacetic acid, alpha-(14)C-labeledHMDB
(R,R)-3,3'-Dithiobis(2-aminopropanoic acid)HMDB
(R-(R*,r*))-3,3'-dithiobis(2-aminopropanoic acid)HMDB
3,3'-Dithiobis-L-alanineHMDB
beta,Beta'-diamino-beta,beta'-dicarboxydiethyl disulfideHMDB
beta,Beta'-dithiodialanineHMDB
Bis(beta-amino-beta-carboxyethyl) disulfideHMDB
e921HMDB
L-alpha-Diamino-beta-dithiolactic acidHMDB
L-DicysteineHMDB
Oxidized L-cysteineHMDB
(R,R)-3,3'-Dithiobis(2-aminopropanoate)HMDB
(R-(R*,r*))-3,3'-dithiobis(2-aminopropanoate)HMDB
b,Beta'-diamino-b,beta'-dicarboxydiethyl disulfideHMDB
b,Beta'-diamino-b,beta'-dicarboxydiethyl disulphideHMDB
beta,Beta'-diamino-beta,beta'-dicarboxydiethyl disulphideHMDB
Β,beta'-diamino-β,beta'-dicarboxydiethyl disulfideHMDB
Β,beta'-diamino-β,beta'-dicarboxydiethyl disulphideHMDB
b,Beta'-dithiodialanineHMDB
Β,beta'-dithiodialanineHMDB
Bis(b-amino-b-carboxyethyl) disulfideHMDB
Bis(b-amino-b-carboxyethyl) disulphideHMDB
Bis(beta-amino-beta-carboxyethyl) disulphideHMDB
Bis(β-amino-β-carboxyethyl) disulfideHMDB
Bis(β-amino-β-carboxyethyl) disulphideHMDB
L-a-Diamino-b-dithiolactateHMDB
L-a-Diamino-b-dithiolactic acidHMDB
L-alpha-Diamino-beta-dithiolactateHMDB
L-Α-diamino-β-dithiolactateHMDB
L-Α-diamino-β-dithiolactic acidHMDB
(-)-CystineHMDB
(R-(R*,r*))-3,3'-dithiobisHMDB
2-Amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoateHMDB
2-Amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acidHMDB
2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoateHMDB
2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoic acidHMDB
3,3'-DithiobisHMDB
3,3'-Dithiobis[2-amino-[R-(r*,r*)]-propanoateHMDB
3,3'-Dithiobis[2-amino-[R-(r*,r*)]-propanoic acidHMDB
3,3'-DithiodialanineHMDB
b,B'-diamino-b,b'-dicarboxydiethyl disulfideHMDB
b,B'-dithiodialanineHMDB
beta,Beta'-dithiobisalanineHMDB
Bis(b-amino-beta-carboxyethyl) disulfideHMDB
Cysteine disulfideHMDB
CystinHMDB
CystineHMDB
Cystine acidHMDB
D(+)-3,3'-Dithiobis(2-aminopropanoateHMDB
D(+)-3,3'-Dithiobis(2-aminopropanoic acidHMDB
DicysteineHMDB
GelucystineHMDB
L-(-)-CystineHMDB
L-Cysteine disulfideHMDB
L-CystinHMDB
[R-(R*,r*)]-3,3'-dithiobisHMDB
L CystineHMDB
Copper cystinateHMDB
(+)-Lactic acidHMDB
(S)-(+)-Lactic acidHMDB
(S)-2-Hydroxypropanoic acidHMDB
(S)-2-Hydroxypropionic acidHMDB
L-(+)-alpha-Hydroxypropionic acidHMDB
L-(+)-Lactic acidHMDB
L-MilchsaeureHMDB
L-LactateHMDB
(+)-LactateHMDB
(S)-(+)-LactateHMDB
(S)-2-HydroxypropanoateHMDB
(S)-2-HydroxypropionateHMDB
L-(+)-a-HydroxypropionateHMDB
L-(+)-a-Hydroxypropionic acidHMDB
L-(+)-alpha-HydroxypropionateHMDB
L-(+)-Α-hydroxypropionateHMDB
L-(+)-Α-hydroxypropionic acidHMDB
L-(+)-LactateHMDB
(alpha)-LactateHMDB
(alpha)-Lactic acidHMDB
(S)-(+)-2-HydroxypropanoateHMDB
(S)-(+)-2-Hydroxypropanoic acidHMDB
(S)-2-Hydroxy-propanoateHMDB
(S)-2-Hydroxy-propanoic acidHMDB
(S)-LactateHMDB
(S)-Lactic acidHMDB
1-Hydroxyethane 1-carboxylateHMDB
1-Hydroxyethane 1-carboxylic acidHMDB
1-HydroxyethanecarboxylateHMDB
1-Hydroxyethanecarboxylic acidHMDB
2-HydroxypropanoateHMDB
2-Hydroxypropanoic acidHMDB
2-HydroxypropionateHMDB
a-HydroxypropanoateHMDB
a-Hydroxypropanoic acidHMDB
a-HydroxypropionateHMDB
a-Hydroxypropionic acidHMDB
alpha-HydroxypropanoateHMDB
alpha-Hydroxypropanoic acidHMDB
alpha-HydroxypropionateHMDB
alpha-Hydroxypropionic acidHMDB
L-(+)- Lactic acidHMDB
L-2-HydroxypropanoateHMDB
L-2-Hydroxypropanoic acidHMDB
LactateHMDB
Lactic acidHMDB
Milk acidHMDB
Sarcolactic acidHMDB
2-Hydroxypropionic acidHMDB
D-Lactic acidHMDB
D Lactic acidHMDB
Lactate, ammoniumHMDB
2 Hydroxypropanoic acidHMDB
2 Hydroxypropionic acidHMDB
Ammonium lactateHMDB
L Lactic acidHMDB
9-beta-D-Ribofuranosyl-9H-purin-6-olHMDB
9-beta-D-RibofuranosylhypoxanthineHMDB
Hypoxanthine D-ribosideHMDB
HypoxanthosineHMDB
iHMDB
InosinHMDB
InosinaHMDB
InosinumHMDB
InotinHMDB
9-b-D-Ribofuranosyl-9H-purin-6-olHMDB
9-Β-D-ribofuranosyl-9H-purin-6-olHMDB
9-b-D-RibofuranosylhypoxanthineHMDB
9-Β-D-ribofuranosylhypoxanthineHMDB
(-)-InosineHMDB
1,9-Dihydro-9-b-D-ribofuranosyl-6H-purin-6-oneHMDB
1,9-Dihydro-9-beta-D-ribofuranosyl-6H-purin-6-oneHMDB
1,9-Dihydro-9-beta-delta-ribofuranosyl-6H-purin-6-oneHMDB
9-b-D-Ribofuranosyl-hypoxanthineHMDB
9-beta-D-Ribofuranosyl-hypoxanthineHMDB
9-beta-delta-Ribofuranosyl-hypoxanthineHMDB
9-beta-delta-RibofuranosylhypoxanthineHMDB
9beta-D-RibofuranosylhypoxanthineHMDB
9beta-delta-RibofuranosylhypoxanthineHMDB
AtorelHMDB
beta-D-Ribofuranoside hypoxanthine-9HMDB
beta-delta-Ribofuranoside hypoxanthine-9HMDB
beta-InosineHMDB
HXRHMDB
Hypoxanthine 9-beta-D-ribofuranosideHMDB
Hypoxanthine 9-beta-delta-ribofuranosideHMDB
Hypoxanthine nucleosideHMDB
Hypoxanthine ribonucleosideHMDB
Hypoxanthine ribosideHMDB
Hypoxanthine-9 beta-D-ribofuranosideHMDB
Hypoxanthine-9 beta-delta-ribofuranosideHMDB
Hypoxanthine-9-beta-D-ribofuranosideHMDB
Hypoxanthine-9-beta-delta-ribofuranosideHMDB
Hypoxanthine-9-D-ribofuranosideHMDB
Hypoxanthine-9-delta-ribofuranosideHMDB
Hypoxanthine-riboseHMDB
Indole-3-carboxaldehydeHMDB
InoHMDB
InosieHMDB
Iso-prinosineHMDB
OxiaminHMDB
Panholic-LHMDB
Pantholic-LHMDB
RibonosineHMDB
SelferHMDB
TrophicardylHMDB
(2S)-6-(Acetylamino)-2-aminohexanoic acidHMDB
N(6)-ACETYLLYSINEHMDB
N(zeta)-AcetyllysineHMDB
N-epsilon-Acetyl-L-lysineHMDB
N-Epsilon-AcetyllysineHMDB
N(epsilon)-Acetyl-L-lysineHMDB
N(zeta)-Acetyl-L-lysineHMDB
(2S)-6-(Acetylamino)-2-aminohexanoateHMDB
N(Z)-AcetyllysineHMDB
N(Ζ)-acetyllysineHMDB
N(Z)-Acetyl-L-lysineHMDB
N(Ζ)-acetyl-L-lysineHMDB
e-Acetyl-L-lysineHMDB
e-N-Acetyl-L-lysineHMDB
e-N-AcetyllysineHMDB
epsilon-Acetyl-L-lysineHMDB
epsilon-N-Acetyl-L-lysineHMDB
epsilon-N-AcetyllysineHMDB
L-e-N-AcetyllysineHMDB
L-epsilon-N-AcetyllysineHMDB
N-e-Acetyl-L-lysineHMDB
N-e-AcetyllysineHMDB
N6-AcetyllysineHMDB
Ne-acetyl-L-lysineHMDB
Ne-acetyllysineHMDB
Omega-N-acetyl-L-lysineHMDB
W-N-Acetyl-L-lysineHMDB
N(6)-AcetyllsineHMDB
Omega-acetyllsineHMDB
beta-Alanyl-3-methyl-L-histidineHMDB
beta-Alanyl-N(pai)-methyl-L-histidineHMDB
b-Alanyl-3-methyl-L-histidineHMDB
Β-alanyl-3-methyl-L-histidineHMDB
b-Alanyl-N(pai)-methyl-L-histidineHMDB
Β-alanyl-N(pai)-methyl-L-histidineHMDB
L-AnserineHMDB
L-N-b-Alanyl-3-methyl-histidineHMDB
L-N-beta-Alanyl-3-methyl-histidineHMDB
N-b-Alanyl-3-methyl-L-histidineHMDB
N-beta-Alanyl-3-methyl-L-histidineHMDB
BalanineHMDB
Beta Alanyl 3 methylhistidineHMDB
Beta-Alanyl-3-methylhistidineHMDB
OphidineHMDB
Indoleacetic acidChEBI
3-(Carboxymethyl)-1H-indolePhytoBank
3-Indolylmethylcarboxylic acidPhytoBank
alpha-IAAPhytoBank
α-IAAPhytoBank
beta-IAAPhytoBank
β-IAAPhytoBank
β-Indoleacetic acidPhytoBank
(1H-Indol-3-yl)-acetatebiospider
(1H-Indol-3-yl)-acetic acidbiospider
β-Indole-3-acetic acidbiospider
β-indoleacetic acidbiospider
β-indolylacetic acidbiospider
1H-indol-3-ylacetatebiospider
1H-indol-3-ylacetic acidbiospider
1H-Indole-3-acetic acid (9CI)biospider
2-(1H-indol-3-yl)acetatebiospider
2-(1H-indol-3-yl)acetic acidbiospider
2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indolebiospider
2-(indol-3-yl)ethanoic acidbiospider
3-Indole-Acetic acidbiospider
Acetic acid, indolyl-biospider
alpha-Indol-3-yl-acetic acidbiospider
B-indoleacetatebiospider
B-indoleacetic acidbiospider
B-indolylacetatebiospider
B-indolylacetic acidbiospider
Beta-indoleacetatebiospider
Beta-indoleacetic acidbiospider
Beta-indolylacetatebiospider
Beta-indolylacetic acidbiospider
Indole-3-acetic acid (8CI)biospider
Indolyacetic acidbiospider
Rhizipon Adb_source
Predicted Properties
PropertyValueSource
Water Solubility1.38 g/LALOGPS
logP1.87ALOGPS
logP1.71ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)4.66ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area53.09 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity48.45 m³·mol⁻¹ChemAxon
Polarizability17.74 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC10H9NO2
IUPAC name2-(1H-indol-3-yl)acetic acid
InChI IdentifierInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChI KeySEOVTRFCIGRIMH-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CC1=CNC2=C1C=CC=C2
Average Molecular Weight175.184
Monoisotopic Molecular Weight175.063328537
Classification
Description Belongs to the class of organic compounds known as indole-3-acetic acid derivatives. Indole-3-acetic acid derivatives are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassIndolyl carboxylic acids and derivatives
Direct ParentIndole-3-acetic acid derivatives
Alternative Parents
Substituents
  • Indole-3-acetic acid derivative
  • 3-alkylindole
  • Indole
  • Substituted pyrrole
  • Benzenoid
  • Heteroaromatic compound
  • Pyrrole
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Carbonyl group
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Foods
  • Dairy products
  • Eggs
  • Meats
  • Grains:

    Nuts and legumes:

    Physico-Chemical Properties - Experimental
    Physico-Chemical Properties - Experimental
    PropertyValueReference
    Physical stateSolid
    Physical DescriptionNot Available
    Mass CompositionC 68.56%; H 5.18%; N 8.00%; O 18.27%DFC
    Melting PointMp 164-165°DFC
    Boiling PointNot Available
    Experimental Water Solubility1.5 mg/mL at 20 oCSHIU,WY et al. (1990)
    Experimental logP1.41HANSCH,C ET AL. (1995)
    Experimental pKapKa2 16.9 (NH)DFC
    Isoelectric pointNot Available
    ChargeNot Available
    Optical RotationNot Available
    Spectroscopic UV Data289 (e 8700) (MeOH) (Berdy)DFC
    DensityNot Available
    Refractive IndexNot Available
    Spectra
    Spectra
    EI-MS/GC-MS
    TypeDescriptionSplash KeyView
    EI-MSMass Spectrum (Electron Ionization)splash10-001i-1900000000-3ffc47eb6c977956ad93Spectrum
    GC-MS1H-Indole-3-acetic acid, 2 TMS, GC-MS Spectrumsplash10-0udi-0391000000-7581f14fe5be5b2b2954Spectrum
    GC-MS1H-Indole-3-acetic acid, 2 TMS, GC-MS Spectrumsplash10-0udi-0691000000-de9ac4f748d50db109eaSpectrum
    GC-MS1H-Indole-3-acetic acid, 2 TMS, GC-MS Spectrumsplash10-0udi-0591000000-9687f83d1372abe23c3cSpectrum
    GC-MS1H-Indole-3-acetic acid, 2 TMS, GC-MS Spectrumsplash10-0udi-1793100000-7c78003038436ec5a902Spectrum
    GC-MS1H-Indole-3-acetic acid, 1 TMS, GC-MS Spectrumsplash10-00ai-7910000000-4aa7b8244f32048c76bcSpectrum
    GC-MS1H-Indole-3-acetic acid, 2 TMS, GC-MS Spectrumsplash10-0fk9-9250000000-a5f931fc3292056dba65Spectrum
    GC-MS1H-Indole-3-acetic acid, 1 TMS, GC-MS Spectrumsplash10-001i-1920000000-f0ecee61454a589493afSpectrum
    GC-MS1H-Indole-3-acetic acid, 2 TMS, GC-MS Spectrumsplash10-0udi-1692000000-ce863a1ca2a657cb41d5Spectrum
    GC-MS1H-Indole-3-acetic acid, non-derivatized, GC-MS Spectrumsplash10-003r-0900000000-1edcb4977a52155bc130Spectrum
    GC-MS1H-Indole-3-acetic acid, non-derivatized, GC-MS Spectrumsplash10-0udi-0391000000-7581f14fe5be5b2b2954Spectrum
    GC-MS1H-Indole-3-acetic acid, non-derivatized, GC-MS Spectrumsplash10-0udi-0691000000-de9ac4f748d50db109eaSpectrum
    GC-MS1H-Indole-3-acetic acid, non-derivatized, GC-MS Spectrumsplash10-0udi-0591000000-9687f83d1372abe23c3cSpectrum
    GC-MS1H-Indole-3-acetic acid, non-derivatized, GC-MS Spectrumsplash10-0udi-1793100000-7c78003038436ec5a902Spectrum
    GC-MS1H-Indole-3-acetic acid, non-derivatized, GC-MS Spectrumsplash10-00ai-7910000000-4aa7b8244f32048c76bcSpectrum
    GC-MS1H-Indole-3-acetic acid, non-derivatized, GC-MS Spectrumsplash10-0fk9-9250000000-a5f931fc3292056dba65Spectrum
    GC-MS1H-Indole-3-acetic acid, non-derivatized, GC-MS Spectrumsplash10-001i-1920000000-f0ecee61454a589493afSpectrum
    GC-MS1H-Indole-3-acetic acid, non-derivatized, GC-MS Spectrumsplash10-0udi-1692000000-ce863a1ca2a657cb41d5Spectrum
    GC-MS1H-Indole-3-acetic acid, non-derivatized, GC-MS Spectrumsplash10-0udi-0691000000-f6073f8f35a6930b5aacSpectrum
    Predicted GC-MS1H-Indole-3-acetic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0059-1900000000-ab74ec83b16ac0b97d12Spectrum
    Predicted GC-MS1H-Indole-3-acetic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-001i-7920000000-8dab2ad22251c9fbd21cSpectrum
    MS/MS
    TypeDescriptionSplash KeyView
    MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-004i-0900000000-f6dbb01a35af3042d126Spectrum
    MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-004i-0900000000-2ae231b7d0e2cd50aed8Spectrum
    MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-004i-6900000000-9eae14faa16b8f8259daSpectrum
    MS/MSLC-MS/MS Spectrum - EI-B (HITACHI M-80) , Positivesplash10-003r-0900000000-1edcb4977a52155bc130Spectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negativesplash10-00e9-0900000000-187b48f2258823cbc6a2Spectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negativesplash10-001i-0900000000-30b7a73fa446d0e3c8d3Spectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negativesplash10-004i-0900000000-bbe0fb5a48f89ea6e383Spectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negativesplash10-004i-0900000000-97850f400d80de278334Spectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negativesplash10-004i-0900000000-600545759ef108827b9eSpectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positivesplash10-0kxr-5900000000-ba2eed29832f9ee48921Spectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positivesplash10-004l-5900000000-a0b30710f83e53b6f3dbSpectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positivesplash10-001i-9500000000-146ac0a20f9d53e76291Spectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positivesplash10-053r-9600000000-d9258b3c6b5c6f748f6eSpectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positivesplash10-004i-9300000000-b59628beb41b424daf4aSpectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (UPLC Waters, Quattro Ultima Pt Micromass) , Positive (Annotated)splash10-004i-0900000000-755373c9248cfb6425fcSpectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positivesplash10-004i-0900000000-2b3df7a1dd85faea6705Spectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, Positivesplash10-003r-0900000000-9522ab089ab89b64f96aSpectrum
    MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negativesplash10-001i-0900000000-b735e95cb23091491c2eSpectrum
    Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0900000000-2a3dd24f136523e6ce1eSpectrum
    Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-053r-0900000000-77436493836245345cb8Spectrum
    Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00lr-1900000000-4e0b6f24d03c0b25800fSpectrum
    Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00e9-0900000000-1d045a56f3669a1c9391Spectrum
    Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-05ai-0900000000-518778c36bacbf77b901Spectrum
    Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a5c-3900000000-323fc64084836756be30Spectrum
    Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0900000000-2a3dd24f136523e6ce1eSpectrum
    NMR
    TypeDescriptionView
    1D NMR1H NMR SpectrumSpectrum
    1D NMR1H NMR SpectrumSpectrum
    1D NMR13C NMR SpectrumSpectrum
    1D NMR1H NMR SpectrumSpectrum
    1D NMR13C NMR SpectrumSpectrum
    2D NMR[1H,1H] 2D NMR SpectrumSpectrum
    2D NMR[1H,13C] 2D NMR SpectrumSpectrum
    ChemSpider ID780
    ChEMBL IDCHEMBL82411
    KEGG Compound IDC00954
    Pubchem Compound ID802
    Pubchem Substance IDNot Available
    ChEBI ID16411
    Phenol-Explorer IDNot Available
    DrugBank IDDB07950
    HMDB IDHMDB00197
    CRC / DFC (Dictionary of Food Compounds) IDBNC14-M:BNC14-M
    EAFUS IDNot Available
    Dr. Duke IDINDOLE-ACETIC-ACID|BETA-INDOLACETIC-ACID|INDOLE-3-ACETIC-ACID
    BIGG ID1485312
    KNApSAcK IDC00000100
    HET IDIAC
    Food Biomarker OntologyNot Available
    VMH IDNot Available
    Flavornet IDNot Available
    GoodScent IDrw1251501
    SuperScent IDNot Available
    Wikipedia IDIndole-3-acetic_acid
    Phenol-Explorer Metabolite IDNot Available
    Duplicate IDSNot Available
    Old DFC IDSNot Available
    Associated Foods
    FoodContent Range AverageReference
    FoodReference
    Biological Effects and Interactions
    Health Effects / Bioactivities
    DescriptorIDDefinitionReference
    allelochemicDUKE
    cancer preventive35610 A substance that inhibits or prevents the proliferation of neoplasms.DUKE
    herbicide24527 A substance used to destroy plant pests.DUKE
    hormone24621 Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.DUKE
    hypoglycemic35526 A drug which lowers the blood glucose level.DUKE
    insulinase inhibitor23924 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.DUKE
    insulinotonicDUKE
    pesticide25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.DUKE
    EnzymesNot Available
    Pathways
    NameSMPDB LinkKEGG Link
    Tryptophan MetabolismSMP00063 map00380
    MetabolismNot Available
    BiosynthesisNot Available
    Organoleptic Properties
    Flavours
    FlavorCitations
    odorless
    1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
    mild
    1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
    sour
    1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
    Files
    MSDSshow
    References
    Synthesis ReferenceNot Available
    General ReferenceNot Available
    Content Reference— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
    — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).