Summary

IMPPAT Phytochemical identifier: IMPHY003399

Phytochemical name: 8-[5-(5,7-Dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

Synonymous chemical names:
amentoflavone hexamethyl ether, dioonflavone

External chemical identifiers:
CID:3336566, ZINC:ZINC000008439387

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Chemical structure information

SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2OC)OC)c1cc(ccc1OC)c1cc(=O)c2c(o1)cc(cc2OC)OC

InChI:
InChI=1S/C36H30O10/c1-39-21-10-7-19(8-11-21)27-17-25(38)35-31(44-6)18-30(43-5)33(36(35)46-27)23-13-20(9-12-26(23)41-3)28-16-24(37)34-29(42-4)14-22(40-2)15-32(34)45-28/h7-18H,1-6H3

InChIKey:
MZDGQNFFUITEAB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))ccc=O)cco6)cccc6OC))))OC)))cccccc6OC)))))ccc=O)cco6)cccc6OC))))OC

Functional groups:
c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2cccc(-c3cccc4c(=O)cc(-c5ccccc5)oc34)c2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCC(C3CCCC4C(O)CC(C5CCCCC5)OC43)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(C3CCCC4C(C)CC(C5CCCCC5)CC43)C2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Biflavonoids and polyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.664

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Chemical structure download