Summary
SMILES: CC(=CCc1c(O)ccc(c1O)c1coc2c(c1=O)c(O)c1c(c2)OC(C=C1)(C)C)CInChI: InChI=1S/C25H24O6/c1-13(2)5-6-15-18(26)8-7-14(22(15)27)17-12-30-20-11-19-16(9-10-25(3,4)31-19)23(28)21(20)24(17)29/h5,7-12,26-28H,6H2,1-4H3InChIKey: BUYJDESZDWGXRM-UHFFFAOYSA-N
DeepSMILES: CC=CCccO)cccc6O))ccoccc6=O))cO)ccc6)OCC=C6))C)C))))))))))))))))))C
Scaffold Graph/Node/Bond level: O=c1c(-c2ccccc2)coc2cc3c(cc12)C=CCO3
Scaffold Graph/Node level: OC1C(C2CCCCC2)COC2CC3OCCCC3CC21
Scaffold Graph level: CC1C(C2CCCCC2)CCC2CC3CCCCC3CC21
Functional groups: CC=C(C)C; c=O; cC=CC; cO; cOC; 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: Isoflavones
Synonymous chemical names:angustone c
External chemical identifiers:CID:14237658; ZINC:ZINC000034255913
Chemical structure download