Summary
SMILES: CC(=CCC(C(=C)C)Cc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccc(cc1O)O)O)CInChI: InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15?,23-/m0/s1InChIKey: XRYVAQQLDYTHCL-GMTBNIFVSA-N
DeepSMILES: CC=CCCC=C)C))CccO)cccc6O[C@@H]CC6=O)))cccccc6O)))O)))))))))O)))))))))C
Scaffold Graph/Node/Bond level: O=C1CC(c2ccccc2)Oc2ccccc21
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2CCCCC12
Scaffold Graph level: CC1CC(C2CCCCC2)CC2CCCCC12
Functional groups: C=C(C)C; CC=C(C)C; cC(C)=O; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Flavans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavanones
Synonymous chemical names:sophoraflavone g
External chemical identifiers:CID:9910234; ChEMBL:CHEMBL479477; SureChEMBL:SCHEMBL17626648
Chemical structure download