Summary

IMPPAT Phytochemical identifier: IMPHY014299

Phytochemical name: 2-Methyl-9,10-dimethoxy-1,4-anthraquinone

Synonymous chemical names:
9,10-dimethoxy-2-methyl-1,4-anthraquinone

External chemical identifiers:
CID:14283285, ZINC:ZINC000015119298

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Chemical structure information

SMILES:
COc1c2C(=O)C=C(C(=O)c2c(c2c1cccc2)OC)C

InChI:
InChI=1S/C17H14O4/c1-9-8-12(18)13-14(15(9)19)17(21-3)11-7-5-4-6-10(11)16(13)20-2/h4-8H,1-3H3

InChIKey:
CGKURDDUNHIEID-UHFFFAOYSA-N

DeepSMILES:
COccC=O)C=CC=O)c6ccc%10cccc6))))))OC)))))C

Functional groups:
CC1=CC(=O)ccC1=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2cc3ccccc3cc21

Scaffold Graph/Node level:
OC1CCC(O)C2CC3CCCCC3CC12

Scaffold Graph level:
CC1CCC(C)C2CC3CCCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.203

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Chemical structure download