Summary
SMILES: COc1ccc(cc1)c1oc2cc(OC)c(c(c2c(=O)c1OC)O)OCInChI: InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)17-19(25-4)16(21)14-12(26-17)9-13(23-2)18(24-3)15(14)20/h5-9,20H,1-4H3InChIKey: ADNCDMHZHONBRR-UHFFFAOYSA-N
DeepSMILES: COcccccc6))cocccOC))ccc6c=O)c%10OC)))))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: O-methylated flavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavonols
Synonymous chemical names:3,4,6,7-tetra-me ether-3,4,5,6,7-pentahydroxyflavone
External chemical identifiers:CID:5318355; ChEMBL:CHEMBL521934; ZINC:ZINC000006018463; SureChEMBL:SCHEMBL5073336
Chemical structure download