Summary

IMPPAT Phytochemical identifier: IMPHY010008

Phytochemical name: Ageconyflavone A

Synonymous chemical names:
5,6,7-trimethoxy-3’,4’-methylenedioxyflavone (ageconyflavone a), ageconyflavone a

External chemical identifiers:
CID:10089586

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Chemical structure information

SMILES:
COc1cc2oc(cc(=O)c2c(c1OC)OC)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C19H16O7/c1-21-16-8-15-17(19(23-3)18(16)22-2)11(20)7-13(26-15)10-4-5-12-14(6-10)25-9-24-12/h4-8H,9H2,1-3H3

InChIKey:
UWMIBQBUKOVZNB-UHFFFAOYSA-N

DeepSMILES:
COcccoccc=O)c6cc%10OC)))OC))))))cccccc6)OCO5

Functional groups:
c1cOCO1, c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc3c(c2)OCO3)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCC3OCOC3C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCC3C2)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: 0.885

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Chemical structure download