Summary
IMPPAT Phytochemical identifier: IMPHY005285
Phytochemical name: 5,6,7,3',4',5'-Hexamethoxyflavone
Synonymous chemical names:3',4',5,6,7,8-hexamethoxyflavone, flavone, 5,6,7,3',4',5' -hexamethoxy, flavone,5,6,7,3',4',5'-hexamethoxy
External chemical identifiers:CID:185670, ChEMBL:CHEMBL370963, ZINC:ZINC000002566199, SureChEMBL:SCHEMBL1765114, MolPort-009-754-984
Chemical structure information
SMILES:
COc1c(OC)cc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OCInChI:
InChI=1S/C21H22O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-10H,1-6H3InChIKey:
DYDFNKUHYXHWFM-UHFFFAOYSA-NDeepSMILES:
COccOC))cccc6OC))))ccc=O)cco6)cccc6OC)))OC)))OCFunctional groups:
c=O, cOC, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire 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
NP-Likeness score: 0.813
Chemical structure download