Summary

IMPPAT Phytochemical identifier: IMPHY010773

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

Synonymous chemical names:
2-hydroxy-1,4-naphthaquinone

Chemical structure information

SMILES:
O=C1C=C(O)C(=O)c2c1cccc2

InChI:
InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H

InChIKey:
CSFWPUWCSPOLJW-UHFFFAOYSA-N

DeepSMILES:
O=CC=CO)C=O)cc6cccc6

Functional groups:
O=C1C=C(O)C(=O)cc1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2ccccc21

Scaffold Graph/Node level:
OC1CCC(O)C2CCCCC12

Scaffold Graph level:
CC1CCC(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthoquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.145

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Chemical structure download