Summary

IMPPAT Phytochemical identifier: IMPHY000363

Phytochemical name: 1H-Indole-3-acetic acid, 2,3-dihydro-3-hydroxy-2-oxo-

Synonymous chemical names:
dioxindole-3-acetic acid

External chemical identifiers:
CID:10488522, SureChEMBL:SCHEMBL1460831

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Chemical structure information

SMILES:
OC(=O)CC1(O)C(=O)Nc2c1cccc2

InChI:
InChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)

InChIKey:
MHLHEINWUCSPTL-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCO)C=O)Ncc5cccc6

Functional groups:
CC(=O)O, CO, 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: 0.576

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Chemical structure download