Summary
SMILES: COc1cc(ccc1O)c1cc(=O)c2c(o1)c1C=CC(Oc1cc2O)(C)CInChI: InChI=1S/C21H18O6/c1-21(2)7-6-12-17(27-21)10-15(24)19-14(23)9-16(26-20(12)19)11-4-5-13(22)18(8-11)25-3/h4-10,22,24H,1-3H3InChIKey: AGOMJPUUTGWSSH-UHFFFAOYSA-N
DeepSMILES: COcccccc6O))))ccc=O)cco6)cC=CCOc6cc%10O)))))C)C
Scaffold Graph/Node/Bond level: O=c1cc(-c2ccccc2)oc2c3c(ccc12)OCC=C3
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2C1CCC1OCCCC12
Scaffold Graph level: CC1CC(C2CCCCC2)CC2C1CCC1CCCCC12
Functional groups: c=O; cC=CC; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Pyranoflavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavones
Synonymous chemical names:racemoflavone, racemoflavone[8,8-dimethyl-5-hydroxy-2-(4'-hydroxy-3'-methoxyphenyl)-4h,8h-benzo-(1,2-b_3,4-b')dipyran-4-one]
External chemical identifiers:CID:14162622
Chemical structure download