Summary
SMILES: CCCCOC(=O)[C@@H]1C[C@H](O)C[C@@H]2[C@@H]1C(=O)C[C@H]1[C@@]2(C)C[C@H](OC1=O)c1ccoc1InChI: InChI=1S/C23H30O7/c1-3-4-6-29-21(26)15-8-14(24)9-16-20(15)18(25)10-17-22(27)30-19(11-23(16,17)2)13-5-7-28-12-13/h5,7,12,14-17,19-20,24H,3-4,6,8-11H2,1-2H3/t14-,15+,16+,17+,19-,20+,23-/m0/s1InChIKey: KMLQBHMEPVHNNG-YUOXRXGSSA-N
DeepSMILES: CCCCOC=O)[C@@H]C[C@H]O)C[C@@H][C@@H]6C=O)C[C@H][C@@]6C)C[C@H]OC6=O)))cccoc5
Scaffold Graph/Node/Bond level: O=C1CC2C(=O)OC(c3ccoc3)CC2C2CCCCC12
Scaffold Graph/Node level: OC1CC2C(O)OC(C3CCOC3)CC2C2CCCCC12
Scaffold Graph level: CC1CC2C(C)CC(C3CCCC3)CC2C2CCCCC12
Functional groups: CC(C)=O; CO; COC(C)=O; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene lactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
Synonymous chemical names:diosbulbin h, diosbulbin-h
External chemical identifiers:CID:101316925; ZINC:ZINC000100780955
Chemical structure download