| Phytochemical Name : Bilobalide |
| PCNDIDB0108 |
| Pubchem CID : 73581 |
| Molecular formula: C15H18O8 |
| Canonical SMILES : CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)O |
Synonymes : Bilobalide|33570-04-6|Bilobalid|(-)-Bilobalide|Bilobalide A|UNII-M81D2O8H7U|CHEBI:3103|M81D2O8H7U|DTXSID10873207|4H,5aH,9H-Furo(2,3-b)furo(3',2':2,3)cyclopenta(1,2-c)furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (5aR-(3aS*,5aalpha,8beta,8aS*,9alpha,10aalpha))-|(3aS,8R,8aS,9R,10aS)-9-tert-butyl-8,9-dihydroxydihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione|4H,5aH,9H-furo(2,3-b)furo(3',2':2,3)cyclopenta(1,2-c)furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3aS,5aR,8R,8aS,9R,10aS)-|4H,5aH,9H-Furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3aS,5aR,8R,8aS,9R,10aS)-|tert-butyl(dihydroxy)[?]trione|(3aS,8R,8aS,9R,10aS)-9-tert-butyl-8,9-dihydroxydihydro-9H-furo(2,3-b)furo(3',2':2,3)cyclopenta(1,2-c)furan-2,4,7(3H,8H)-trione|BILOBALIDE [MI]|D0B0TK|BILOBALIDE [WHO-DD]|MLS000563448|SCHEMBL285824|GTPL2366|CHEMBL1318117|DTXCID00820705|HMS2205O12|4H,5aH,9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, [5as-(3ar*,5a.alpha.,8.beta.,8ar*,9.alpha.,10a.alpha.)]-|4H,5aH,9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9.alpha.-tert-butyl-10,10a.beta.-dihydro-8.alpha.,9-dihydroxy-, (-)-|BCP28255|EX-A6793|HY-N0076|MFCD00238547|AKOS024282583|CCG-208160|CS-1517|NCGC00142501-01|NCGC00142501-02|AS-17551|BILOBALIDE (CONSTITUENT OF GINKGO)|SMR000232342|LS-183112|BILOBALIDE (CONSTITUENT OF GINKGO) [DSC]|Q418459|SR-01000712074|Q-100409|SR-01000712074-4|(-)-Bilobalide from Ginkgo biloba leaves, >=93% (HPLC)|(1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.0^{1,11}.0^{4,8}]tetradecane-2,6,13-trione|(1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione|4H,5aH,9H-Furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-,(3aS,5aR,8R,8aS,9R,10aS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.320 |
| Log Po/w (XLOGP3) : -0.270 |
| Log Po/w (WLOGP) : -0.740 |
| Log Po/w (MLOGP) : 0.420 |
| Log Po/w (SILICOS-IT) : 0.570 |
| Consensus Log Po/w : 0.060 |