Summary
SMILES: COc1cc2OC(O)C3C(c2cc1OC)(O)C(=O)c1c(O3)c2CC(Oc2cc1O)C(=C)CInChI: InChI=1S/C23H22O9/c1-9(2)13-5-10-14(30-13)7-12(24)18-19(10)32-21-22(26)31-15-8-17(29-4)16(28-3)6-11(15)23(21,27)20(18)25/h6-8,13,21-22,24,26-27H,1,5H2,2-4H3InChIKey: CDZUQIFWCXAIFB-UHFFFAOYSA-N
DeepSMILES: COcccOCO)CCc6cc%10OC)))))O)C=O)ccO6)cCCOc5cc9O)))))C=C)C
Scaffold Graph/Node/Bond level: O=C1c2ccc3c(c2OC2COc4ccccc4C12)CCO3
Scaffold Graph/Node level: OC1C2CCC3OCCC3C2OC2COC3CCCCC3C21
Scaffold Graph level: CC1C2CCC3CCCC3C2CC2CCC3CCCCC3C21
Functional groups: C=C(C)C; CO; cC(C)=O; cO; cOC; cOC(C)O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Isoflavonoids
ClassyFire Subclass: Rotenoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Isoflavonoids
NP Classifier Class: Rotenoids
Synonymous chemical names:villol
External chemical identifiers:CID:44257414; MolPort-005-944-647
Chemical structure download