Summary

IMPPAT Phytochemical identifier: IMPHY004677

Phytochemical name: 1H-Indol-3-ol

Synonymous chemical names:
1h-indol-3-ol, indoxyl

External chemical identifiers:
CID:50591, ChEBI:17840, ZINC:ZINC000100021178, SureChEMBL:SCHEMBL155191, MolPort-000-140-005

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Chemical structure information

SMILES:
Oc1c[nH]c2c1cccc2

InChI:
InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H

InChIKey:
PCKPVGOLPKLUHR-UHFFFAOYSA-N

DeepSMILES:
Occ[nH]cc5cccc6

Functional groups:
cO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Hydroxyindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: 0.339

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Chemical structure download