Summary

IMPPAT Phytochemical identifier: IMPHY000103

Phytochemical name: Pyrogallol

Synonymous chemical names:
pyrogallol

External chemical identifiers:
CID:1057, ChEMBL:CHEMBL307145, ChEBI:16164, ZINC:ZINC000000330141, FDASRS:01Y4A2QXY0, SureChEMBL:SCHEMBL3532, MolPort-001-786-773

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Chemical structure information

SMILES:
Oc1c(O)cccc1O

InChI:
InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H

InChIKey:
WQGWDDDVZFFDIG-UHFFFAOYSA-N

DeepSMILES:
OccO)cccc6O

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Benzenetriols and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.798

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Chemical structure download