Summary

IMPPAT Phytochemical identifier: IMPHY005259

Phytochemical name: 7-Hydroxy-2-oxindole-3-acetic acid

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

External chemical identifiers:
CID:18398273, SureChEMBL:SCHEMBL7651400

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Chemical structure information

SMILES:
OC(=O)CC1C(=O)Nc2c1cccc2O

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

InChIKey:
RBODBEHKWJZUBG-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCC=O)Ncc5cccc6O

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

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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: 0.656

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Chemical structure download