ginkgolide B   Click here for help

GtoPdb Ligand ID: 1862

Abbreviated name: GKB
Synonyms: BN 52021
Compound class: Natural product
Comment: From the plant Ginkgo biloba. There is some ambiguity on online resources as to the exact stereochemistry of ginkgolide B. Other representations on PubChem include CID 11973122 and CID 6917929.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 148.82
Molecular weight 424.14
XLogP 0.15
No. Lipinski's rules broken 0
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Canonical SMILES O=C1OC2C(C1C)(O)C13C4(C2O)C(OC3=O)CC(C24C(O1)OC(=O)C2O)C(C)(C)C
Isomeric SMILES O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C
InChI InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9?,10?,11+,15+,17?,18?,19-,20-/m1/s1
Classification Click here for help
Compound class Natural product
IUPAC Name Click here for help
Synonyms Click here for help
BN 52021
Database Links Click here for help
Specialist databases
GPCRdb Ligand ginkgolide B
Other databases
CAS Registry No. 15291-77-7 (source: Scifinder)
GtoPdb PubChem SID 135652686
PubChem CID 441294
Search Google for chemical match using the InChIKey SQOJOAFXDQDRGF-OOHPMXMZSA-N
Search Google for chemicals with the same backbone SQOJOAFXDQDRGF
UniChem Compound Search for chemical match using the InChIKey SQOJOAFXDQDRGF-OOHPMXMZSA-N
UniChem Connectivity Search for chemical match using the InChIKey SQOJOAFXDQDRGF-OOHPMXMZSA-N