Summary
SMILES: O=C1O[C@@]23C(=C1C)[C@H]1O[C@]41[C@@H]([C@H]3O2)[C@]1(C)CCCC([C@H]1CC4)(C)CInChI: InChI=1S/C20H26O4/c1-10-12-14-19(22-14)9-6-11-17(2,3)7-5-8-18(11,4)13(19)15-20(12,23-15)24-16(10)21/h11,13-15H,5-9H2,1-4H3/t11-,13+,14-,15-,18-,19+,20-/m1/s1InChIKey: SOVOCMGDFRGRKF-MCDHERAVSA-N
DeepSMILES: O=CO[C@]C=C5C))[C@H]O[C@@]3[C@@H][C@H]7O8))[C@]C)CCCC[C@H]6CC%10)))C)C
Scaffold Graph/Node/Bond level: O=C1C=C2C3OC34CCC3CCCCC3C4C3OC23O1
Scaffold Graph/Node level: OC1CC2C3OC34CCC3CCCCC3C4C3OC23O1
Scaffold Graph level: CC1CC2C3CC34CCC3CCCCC3C4C3CC23C1
Functional groups: CC1=C2[C@H]3O[C@@]3(C)C[C@H]3O[C@@]23OC1=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Naphthofurans
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Diterpenoids
NP Classifier Class: Secoabietane diterpenoids
Synonymous chemical names:jolkinolide b
External chemical identifiers:CID:161954; ChEMBL:CHEMBL404387; ChEBI:69827; ZINC:ZINC000005766692; MolPort-039-052-382
Chemical structure download