Summary

IMPPAT Phytochemical identifier: IMPHY003200

Phytochemical name: (2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid

Synonymous chemical names:
2-oxindole-3-acetic acid

External chemical identifiers:
CID:3080590, ChEMBL:CHEMBL443641, ChEBI:133221, SureChEMBL:SCHEMBL1302976, MolPort-006-013-122

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Chemical structure information

SMILES:
OC(=O)CC1C(=O)Nc2c1cccc2

InChI:
InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)

InChIKey:
ILGMGHZPXRDCCS-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCC=O)Ncc5cccc6

Functional groups:
CC(=O)O, cNC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Cc2ccccc2N1

Scaffold Graph/Node level:
OC1CC2CCCCC2N1

Scaffold Graph level:
CC1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indolyl carboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple oxindole alkaloids

NP-Likeness score: 0.35

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Chemical structure download