Summary

IMPPAT Phytochemical identifier: IMPHY014383

Phytochemical name: 8-(3',4'-Dimethoxyphenyl)-2-methoxynaphtho-1,4-quinone

Synonymous chemical names:
8-(3', 4'-dimethoxyphenyl)-2-methoxynaphtho-1,4-quinone

External chemical identifiers:
CID:23259462, ZINC:ZINC000014589503

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Chemical structure information

SMILES:
COC1=CC(=O)c2c(C1=O)c(ccc2)c1ccc(c(c1)OC)OC

InChI:
InChI=1S/C19H16O5/c1-22-15-8-7-11(9-16(15)23-2)12-5-4-6-13-14(20)10-17(24-3)19(21)18(12)13/h4-10H,1-3H3

InChIKey:
DBMKQPDXXBFDAV-UHFFFAOYSA-N

DeepSMILES:
COC=CC=O)ccC6=O))cccc6)))cccccc6)OC)))OC

Functional groups:
COC1=CC(=O)ccC1=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2c1cccc2-c1ccccc1

Scaffold Graph/Node level:
OC1CCC(O)C2C1CCCC2C1CCCCC1

Scaffold Graph level:
CC1CCC(C)C2C1CCCC2C1CCCCC1

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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: 0.961

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Chemical structure download