Summary

IMPPAT Phytochemical identifier: IMPHY007256

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

Synonymous chemical names:
2-hydroxy-α-naphthaquinone(lawsone), hennotannic acid, lawsone, lawsone(2-hydroxy-1_4-naphthaquinone)

External chemical identifiers:
CID:6755, ZINC:ZINC000100034686, SureChEMBL:SCHEMBL342409

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Chemical structure information

SMILES:
O=C1C=C(O)c2c(C1=O)cccc2

InChI:
InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H

InChIKey:
WVCHIGAIXREVNS-UHFFFAOYSA-N

DeepSMILES:
O=CC=CO)ccC6=O))cccc6

Functional groups:
O=C1C=C(O)ccC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2ccccc2C1=O

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1O

Scaffold Graph level:
CC1CCC2CCCCC2C1C

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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: 1.252

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Chemical structure download