Summary
SMILES: COc1ccc(cc1OC)c1oc2cc(OC)c(c(c2c(=O)c1O)O)OCInChI: InChI=1S/C19H18O8/c1-23-10-6-5-9(7-11(10)24-2)18-17(22)15(20)14-12(27-18)8-13(25-3)19(26-4)16(14)21/h5-8,21-22H,1-4H3InChIKey: QVYSZKIZAPTGSX-UHFFFAOYSA-N
DeepSMILES: COcccccc6OC))))cocccOC))ccc6c=O)c%10O))))O))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; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Flavones
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavonols
Synonymous chemical names:quercetagetin 6,7,3',4'-tetramethyl ether, quercetagetin-6,7,3',4'-tetramethyl ether
External chemical identifiers:CID:5316832; ChEMBL:CHEMBL4455875; FDASRS:LZ9K85GMC4
Chemical structure download