Summary
SMILES: O=C1O[C@H]2C3=C1CCC[C@@H]3[C@]1([C@@H](C2)C)C[C@H](OC1=O)c1cocc1InChI: InChI=1S/C19H20O5/c1-10-7-14-16-12(17(20)23-14)3-2-4-13(16)19(10)8-15(24-18(19)21)11-5-6-22-9-11/h5-6,9-10,13-15H,2-4,7-8H2,1H3/t10-,13+,14-,15+,19-/m1/s1InChIKey: XJRMFKRYVTYFPN-NQFCYCSRSA-N
DeepSMILES: O=CO[C@H]C=C5CCC[C@@H]6[C@][C@@H]C%10)C))C[C@H]OC5=O)))ccocc5
Scaffold Graph/Node/Bond level: O=C1OC2CCC3(CC(c4ccoc4)OC3=O)C3CCCC1=C23
Scaffold Graph/Node level: OC1OC2CCC3(CC(C4CCOC4)OC3O)C3CCCC1C23
Scaffold Graph level: CC1CC2CCC3(CC(C4CCCC4)CC3C)C3CCCC1C23
Functional groups: CC1=C(C)COC1=O; COC(C)=O; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Lactones
ClassyFire Subclass: Gamma butyrolactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
NP Classifier Class: Colensane and Clerodane diterpenoids
Synonymous chemical names:teuflin
External chemical identifiers:CID:13071598; ZINC:ZINC000028536332; MolPort-046-153-064
Chemical structure download