Summary

IMPPAT Phytochemical identifier: IMPHY016631

Phytochemical name: Durohydroquinone

Synonymous chemical names:
durohydroquinone

External chemical identifiers:
CID:136346, ChEMBL:CHEMBL160233, ZINC:ZINC000001594238, FDASRS:R713G18TVF, SureChEMBL:SCHEMBL69786, MolPort-001-785-702

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Chemical structure information

SMILES:
Cc1c(O)c(C)c(c(c1C)O)C

InChI:
InChI=1S/C10H14O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1-4H3

InChIKey:
SUNVJLYYDZCIIK-UHFFFAOYSA-N

DeepSMILES:
CccO)cC)ccc6C))O))C

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: 0.545

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Chemical structure download