Summary
SMILES: O=C1O[C@H]2C[C@@H]1[C@H]1[C@H]3OC(=O)[C@]4(C3)[C@@]([C@@H]1C2)(C)C[C@@H](O4)c1cocc1InChI: InChI=1S/C19H20O6/c1-18-6-13(9-2-3-22-8-9)25-19(18)7-14(24-17(19)21)15-11-4-10(5-12(15)18)23-16(11)20/h2-3,8,10-15H,4-7H2,1H3/t10-,11+,12+,13+,14-,15+,18-,19+/m0/s1InChIKey: QEANLIISUSNNDX-YHPVUIEZSA-N
DeepSMILES: O=CO[C@H]C[C@@H]5[C@H][C@H]OC=O)[C@]C5)[C@@][C@@H]7C%11))C)C[C@@H]O5)ccocc5
Scaffold Graph/Node/Bond level: O=C1OC2CC1C1C3CC4(OC(c5ccoc5)CC4C1C2)C(=O)O3
Scaffold Graph/Node level: OC1OC2CC1C1C3CC4(OC(C5CCOC5)CC4C1C2)C(O)O3
Scaffold Graph level: CC1CC2CC1C1C3CC(C)C4(CC(C5CCCC5)CC4C1C2)C3
Functional groups: COC; COC(C)=O; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Naphthofurans
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
NP Classifier Class: Colensane and Clerodane diterpenoids
Synonymous chemical names:diosbulbin b, diosbulbin-b
External chemical identifiers:CID:9974762; ChEBI:175358; ZINC:ZINC000006032343; MolPort-035-705-826
Chemical structure download