Summary

IMPPAT Phytochemical identifier: IMPHY005327

Phytochemical name: Cirsimaritin

Synonymous chemical names:
5,4'-dihydroxy-6,7-dimethoxyflavone (cirsimaritin), 6-methoxygenkwanin, 7-methylcapillarisin, cirsimaritin

External chemical identifiers:
CID:188323, ChEMBL:CHEMBL348436, ChEBI:81337, ZINC:ZINC000001081537, SureChEMBL:SCHEMBL1663486, MolPort-000-779-119

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Chemical structure information

SMILES:
COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(cc1)O

InChI:
InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3

InChIKey:
ZIIAJIWLQUVGHB-UHFFFAOYSA-N

DeepSMILES:
COcccoccc=O)c6cc%10OC)))O)))))cccccc6))O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.257

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Chemical structure download