Summary

IMPPAT Phytochemical identifier: IMPHY010698

Phytochemical name: 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone

Synonymous chemical names:
5,3',4'-trihydroxy-3-methoxy-6,7-methylenedioxyflavone

Chemical structure information

SMILES:
COc1c(oc2c(c1=O)c(O)c1c(c2)OCO1)c1ccc(c(c1)O)O

InChI:
InChI=1S/C17H12O8/c1-22-17-14(21)12-10(5-11-16(13(12)20)24-6-23-11)25-15(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3

InChIKey:
BBZORTSKYSEICL-UHFFFAOYSA-N

DeepSMILES:
COccoccc6=O))cO)ccc6)OCO5)))))))))cccccc6)O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc3c(cc12)OCO3

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC3OCOC3CC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC3CCCC3CC12

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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: Flavonols

NP-Likeness score: 1.704

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Chemical structure download