Summary
SMILES: COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)c(OC)cc(c2OC)OCInChI: InChI=1S/C21H22O8/c1-23-14-7-11(8-15(24-2)19(14)27-5)13-9-12(22)18-20(28-6)16(25-3)10-17(26-4)21(18)29-13/h7-10H,1-6H3InChIKey: YSFDTCPVUDPZGB-UHFFFAOYSA-N
DeepSMILES: COcccccc6OC)))OC))))ccc=O)cco6)cOC))ccc6OC)))OC
Scaffold Graph/Node/Bond level: O=c1cc(-c2ccccc2)oc2ccccc12
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2CCCCC12
Scaffold Graph level: CC1CC(C2CCCCC2)CC2CCCCC12
Functional groups: c=O; 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: Flavones
Synonymous chemical names:5,6,8,3',4',5'-hexamethoxyflavone
External chemical identifiers:CID:44257604
Chemical structure download