Summary
SMILES: COc1ccc(cc1)c1oc2c(OC)c(O)cc(c2c(=O)c1O)OInChI: InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,18-19,21H,1-2H3InChIKey: HLSIOUXODPWHFI-UHFFFAOYSA-N
DeepSMILES: COcccccc6))coccOC))cO)ccc6c=O)c%10O))))O
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:5,7-dihydroxy-8,4'-dimethoxyflavonol, prudomestin
External chemical identifiers:CID:10404353; ChEMBL:CHEMBL478812; ChEBI:174447; ZINC:ZINC000014779724; MolPort-035-705-978
Chemical structure download