Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003328

Phytochemical name: Resorcinol

Synonymous chemical names:
5-alkylresorcinol, Resorcinol, resorcinol, resorcinols

External chemical identifiers:
CID:CID_5054, ChEMBL:CHEMBL24147, ChEBI:CHEBI:27810, ZINC:ZINC000000002028, FDASRS:YUL4LO94HK, SureChEMBL:SCHEMBL15515, MolPort-000-872-000

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Chemical structure information

SMILES:
Oc1cccc(c1)O

InChI:
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

InChIKey:
GHMLBKRAJCXXBS-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O

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: Benzenediols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.659

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Chemical structure download