ginkgolide C   Click here for help

GtoPdb Ligand ID: 1863

Synonyms: BN 52022
Comment: From the plant Ginkgo biloba. There is some ambiguity on online resources as to the exact stereochemistry of ginkgolide C. Other representations on PubChem include CID 9867869 and CID 11826309.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 169.05
Molecular weight 440.13
XLogP -1.09
No. Lipinski's rules broken 1
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Canonical SMILES O=C1OC2C(C1C)(O)C13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)C2O)C(C)(C)C)O
Isomeric SMILES O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C)O
InChI InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8?,9?,10-,11+,15+,17?,18?,19-,20-/m1/s1
Classification Click here for help
Compound class Natural product or derivative
IUPAC Name Click here for help
Synonyms Click here for help
BN 52022
Database Links Click here for help
Specialist databases
GPCRdb Ligand ginkgolide C
Other databases
CAS Registry No. 15291-76-6 (source: Scifinder)
GtoPdb PubChem SID 135652687
PubChem CID 441295
Search Google for chemical match using the InChIKey AMOGMTLMADGEOQ-WXQWCWKOSA-N
Search Google for chemicals with the same backbone AMOGMTLMADGEOQ
UniChem Compound Search for chemical match using the InChIKey AMOGMTLMADGEOQ-WXQWCWKOSA-N
UniChem Connectivity Search for chemical match using the InChIKey AMOGMTLMADGEOQ-WXQWCWKOSA-N