Summary
SMILES: COc1c(oc2c(c1=O)c(O)c1c(c2)OCO1)c1ccc(c(c1)O)OInChI: 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,6H2,1H3InChIKey: BBZORTSKYSEICL-UHFFFAOYSA-N
DeepSMILES: COccoccc6=O))cO)ccc6)OCO5)))))))))cccccc6)O))O
Scaffold Graph/Node/Bond level: O=c1cc(-c2ccccc2)oc2cc3c(cc12)OCO3
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2CC3OCOC3CC12
Scaffold Graph level: CC1CC(C2CCCCC2)CC2CC3CCCC3CC12
Functional groups: c1cOCO1; c=O; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: O-methylated flavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavonols
Synonymous chemical names:5,3',4'-trihydroxy-3-methoxy-6,7-methylenedioxyflavone
Chemical structure download