Summary
SMILES: CC(=CCc1cc(c(cc1O)O)C1COc2c(C1=O)c(O)c1c(c2)OC(C=C1)(C)C)CInChI: InChI=1S/C25H26O6/c1-13(2)5-6-14-9-16(19(27)10-18(14)26)17-12-30-21-11-20-15(7-8-25(3,4)31-20)23(28)22(21)24(17)29/h5,7-11,17,26-28H,6,12H2,1-4H3InChIKey: BAKSOIVZFARRJC-UHFFFAOYSA-N
DeepSMILES: CC=CCcccccc6O)))O))CCOccC6=O))cO)ccc6)OCC=C6))C)C))))))))))))))))C
Scaffold Graph/Node/Bond level: O=C1c2cc3c(cc2OCC1c1ccccc1)OCC=C3
Scaffold Graph/Node level: OC1C(C2CCCCC2)COC2CC3OCCCC3CC21
Scaffold Graph level: CC1C(C2CCCCC2)CCC2CC3CCCCC3CC21
Functional groups: CC=C(C)C; cC(C)=O; cC=CC; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Isoflavonoids
ClassyFire Subclass: Isoflavans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Isoflavonoids
NP Classifier Class: Isoflavanones
Synonymous chemical names:cajanone
External chemical identifiers:CID:325518; ChEMBL:CHEMBL1968439; ChEBI:175382
Chemical structure download