1.0
2010-04-08 22:04:57 UTC
2019-11-26 02:56:27 UTC
FDB001404
Indole-3-butyric acid
Indole-3-butyric acid (IBA) is a plant hormone in the auxin family and is an ingredient in many commercial plant rooting horticultural products. Indole-3-butyric acid is found in common pea, potato, and corn.
[3-(3-Indolyl)propyl]carboxylic acid
β-indolebutyric acid
1H-Indole-3-butanoate
1H-Indole-3-butanoic acid
1H-Indole-3-butanoic acid (9CI)
1H-Indole-3-butyrate
1H-Indole-3-butyric acid
3-Indole butyrate
3-Indole butyric acid
3-Indolebutyrate
3-Indolebutyric acid
3-Indolyl-g-butyrate
3-Indolyl-g-butyric acid
3-Indolyl-gamma-butyrate
3-Indolyl-gamma-butyric acid
3-Indolyl-γ-butyrate
3-Indolyl-γ-butyric acid
3-Indolylbutyric acid
3-Iodolebutyrate
4-(1H-Indol-3-yl)-butyrate
4-(1H-Indol-3-yl)-butyric acid
4-(1H-indol-3-yl)butanoate
4-(1H-indol-3-yl)butanoic acid
4-(1H-Indol-3-yl)butyric acid
4-(3-1H-Indolyl)butyrate
4-(3-1H-Indolyl)butyric acid
4-(3-Indole)-butyrate
4-(3-Indole)-butyric acid
4-(3-Indolyl)butanoic acid
4-(3-Indolyl)butyrate
4-(3-Indolyl)butyric acid
4-(Indol-3-yl)butyrate
4-(Indol-3-yl)butyric acid
4-(indolyl)- butyrate
4-(indolyl)- butyric acid
4-(Indolyl)butyric acid
4-indol-3-ylbutyrate
4-indol-3-Ylbutyric acid
4-Indol-3-ylbutyric-acid
B-indolebutyrate
B-indolebutyric acid
Beta-iba
Beta-indolebutyrate
Beta-indolebutyric acid
Beta-indolylbutyric acid
Butyric acid, 4-(indolyl)-
gamma-(Indol-3-yl)butyric acid
gamma-(Indole-3)-butyric acid
IBA
Indol-3,4'-yl butyric acid
Indolbutyric acid
Indole 3-butyrate
Indole 3-butyric acid
Indole butyric acid
Indole-3 Butyrate
Indole-3 Butyric acid
Indole-3-butanoate
Indole-3-butanoic acid
Indole-3-Butrylate
Indole-3-Butrylic acid
Indole-3-butyrate
Indole-3-butyric acid (8CI)
Indolebutyrate
Indolebutyric acid
Indolyl-3-butyrate
Indolyl-3-butyric acid
Seradix
C12H13NO2
203.2371
203.094628665
4-(1H-indol-3-yl)butanoic acid
3-indolebutyric acid
133-32-4
OC(=O)CCCC1=CNC2=C1C=CC=C2
InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
JTEDVYBZBROSJT-UHFFFAOYSA-N
belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
3-alkylindoles
Organic compounds
Organoheterocyclic compounds
Indoles and derivatives
Indoles
Aromatic heteropolycyclic compounds
Azacyclic compounds
Benzenoids
Carbonyl compounds
Carboxylic acids
Heteroaromatic compounds
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Organonitrogen compounds
Organopnictogen compounds
Substituted pyrroles
3-alkylindole
Aromatic heteropolycyclic compound
Azacycle
Benzenoid
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Heteroaromatic compound
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Pyrrole
Substituted pyrrole
indol-3-yl carboxylic acid
Solid
logp
2.38
logs
-2.76
solubility
3.56e-01 g/l
melting_point
124.5 oC
logp
2.6
pka_strongest_acidic
4.86
iupac
4-(1H-indol-3-yl)butanoic acid
average_mass
203.2371
mono_mass
203.094628665
smiles
OC(=O)CCCC1=CNC2=C1C=CC=C2
formula
C12H13NO2
inchi
InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
inchikey
JTEDVYBZBROSJT-UHFFFAOYSA-N
polar_surface_area
53.09
refractivity
57.65
polarizability
22.03
rotatable_bond_count
4
acceptor_count
2
donor_count
2
physiological_charge
-1
formal_charge
0
Specdb::NmrTwoD
1791
Specdb::NmrOneD
1851
Specdb::NmrOneD
166607
Specdb::CMs
1838
Specdb::CMs
1859
Specdb::CMs
6268
Specdb::CMs
27706
Specdb::CMs
31392
Specdb::CMs
31393
Specdb::CMs
38266
Specdb::CMs
169480
Specdb::MsMs
1999
Specdb::MsMs
2000
Specdb::MsMs
2001
Specdb::MsMs
5714
Specdb::MsMs
5715
Specdb::MsMs
5716
Specdb::MsMs
5717
Specdb::MsMs
5718
Specdb::MsMs
5719
Specdb::MsMs
5720
Specdb::MsMs
5721
Specdb::MsMs
5722
Specdb::MsMs
5723
Specdb::MsMs
5724
Specdb::MsMs
246489
Specdb::MsMs
246490
Specdb::MsMs
246491
Specdb::MsMs
266433
Specdb::MsMs
266434
Specdb::MsMs
266435
Specdb::MsMs
437977
Specdb::MsMs
437978
Specdb::MsMs
437979
Specdb::MsMs
437980
Specdb::MsMs
437981
HMDB02096
33070
3IB
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Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Common pea
Type 1
specific
Pisum sativum
3888
Corn
Type 1
specific
Zea mays
4577
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Potato
Type 1
specific
Solanum tuberosum
4113
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
Beta-2-microglobulin precursor [Contains: Beta-2-microglobulin variant pI 5.3]
P61769
B2M
hypoglycemic
1017
A drug which lowers the blood glucose level.
insulinase inhibitor
1044
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.
insulinotonic
1047