Summary

IMPPAT Phytochemical identifier: IMPHY008049

Phytochemical name: 2-Hydroxy-1,4-benzoquinone

Synonymous chemical names:
hydroxyquinone

External chemical identifiers:
CID:151011, ChEBI:18400, FDASRS:C7I5HV2JFI, SureChEMBL:SCHEMBL221723

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Chemical structure information

SMILES:
O=C1C=CC(=O)C(=C1)O

InChI:
InChI=1S/C6H4O3/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

InChIKey:
GPLIMIJPIZGPIF-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC=O)C=C6)O

Functional groups:
O=C1C=CC(=O)C(O)=C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)C=C1

Scaffold Graph/Node level:
OC1CCC(O)CC1

Scaffold Graph level:
CC1CCC(C)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 1.701

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Chemical structure download