1.0
2011-09-21 00:22:13 UTC
2019-11-26 03:21:06 UTC
FDB022948
2-Indolecarboxylic acid
2-Indolecarboxylic acid is a strong inhibitor of lipid peroxidation, similar to melatonin and some structurally related indole compounds.
Lipid peroxidation with tert-butyl hydroperoxide is a source of free radicals (PMID 12236544)
2-Indolecarboxylic acid is a phenolic components known to exist in Korean ginseng (Koryo Insam Hakhoechi (1996), 20(3), 284-290) and brown rice (Han'guk Nonghwa Hakhoechi (1995), 38(5), 478-83). [HMDB]
1H-Indole-2-carboxylate
1H-Indole-2-carboxylic acid
2-Carboxyindole
2-Indolecarboxylate
indol-2-Carboxylate
Indole-2-carboxylate
Indole-2-carboxylic acid
C9H7NO2
161.1574
161.047678473
1H-indole-2-carboxylic acid
indole-2-carboxylic acid
1477-50-5
OC(=O)C1=CC2=C(N1)C=CC=C2
InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
HCUARRIEZVDMPT-UHFFFAOYSA-N
belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. Indolecarboxylic acids and derivatives are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
Indolecarboxylic acids and derivatives
Organic compounds
Organoheterocyclic compounds
Indoles and derivatives
Indolecarboxylic acids and derivatives
Aromatic heteropolycyclic compounds
Azacyclic compounds
Benzenoids
Carboxylic acids
Heteroaromatic compounds
Hydrocarbon derivatives
Indoles
Monocarboxylic acids and derivatives
Organic oxides
Organonitrogen compounds
Organooxygen compounds
Organopnictogen compounds
Pyrrole 2-carboxylic acids
Substituted pyrroles
Aromatic heteropolycyclic compound
Azacycle
Benzenoid
Carboxylic acid
Carboxylic acid derivative
Heteroaromatic compound
Hydrocarbon derivative
Indole
Indolecarboxylic acid derivative
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Pyrrole
Pyrrole-2-carboxylic acid
Pyrrole-2-carboxylic acid or derivatives
Substituted pyrrole
Solid
logp
1.79
logs
-1.96
solubility
1.78e+00 g/l
logp
1.65
pka_strongest_acidic
3.6
iupac
1H-indole-2-carboxylic acid
average_mass
161.1574
mono_mass
161.047678473
smiles
OC(=O)C1=CC2=C(N1)C=CC=C2
formula
C9H7NO2
inchi
InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
inchikey
HCUARRIEZVDMPT-UHFFFAOYSA-N
polar_surface_area
53.09
refractivity
44.28
polarizability
16.17
rotatable_bond_count
1
acceptor_count
2
donor_count
2
physiological_charge
-1
formal_charge
0
Specdb::MsIr
1722
Specdb::MsIr
1723
Specdb::MsIr
1724
Specdb::MsMs
54132
Specdb::MsMs
54133
Specdb::MsMs
54134
Specdb::MsMs
114213
Specdb::MsMs
114214
Specdb::MsMs
114215
Specdb::MsMs
2348675
Specdb::MsMs
2348676
Specdb::MsMs
2348677
Specdb::MsMs
2586529
Specdb::MsMs
2586530
Specdb::MsMs
2586531
Specdb::CMs
17818
Specdb::CMs
38356
Specdb::CMs
146914
Specdb::NmrOneD
115998
Specdb::NmrOneD
115999
Specdb::NmrOneD
116000
Specdb::NmrOneD
116001
Specdb::NmrOneD
116002
Specdb::NmrOneD
116003
Specdb::NmrOneD
116004
Specdb::NmrOneD
116005
Specdb::NmrOneD
116006
Specdb::NmrOneD
116007
Specdb::NmrOneD
116008
Specdb::NmrOneD
116009
Specdb::NmrOneD
116010
Specdb::NmrOneD
116011
Specdb::NmrOneD
116012
Specdb::NmrOneD
116013
Specdb::NmrOneD
116014
Specdb::NmrOneD
116015
Specdb::NmrOneD
116016
Specdb::NmrOneD
116017
HMDB02285
#<Reference:0x00005556764014c0>
#<Reference:0x00005556763ffe90>
#<Reference:0x00005556763ffc38>
#<Reference:0x00005556763ffa08>
#<Reference:0x00005556763ff7b0>
#<Reference:0x00005556763ff440>
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
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
Milk (Cow)
Type 2
specific
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
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