Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003349

Phytochemical name: Hydroquinone

Synonymous chemical names:
Hydroquinone, 1,4-benzenediol, hydroquinone

External chemical identifiers:
CID:CID_785, ChEMBL:CHEMBL537, ChEBI:CHEBI:17594, ZINC:ZINC000005133378, FDASRS:XV74C1N1AE, SureChEMBL:SCHEMBL15516, MolPort-000-871-937

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Chemical structure information

SMILES:
Oc1ccc(cc1)O

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

InChIKey:
QIGBRXMKCJKVMJ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))O

Functional groups:
cO

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP003648

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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: 0.593

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Chemical structure download