Identification Name ginkgolide-A Accession Number DB06743 Type Small Molecule Groups Nutraceutical Description
A highly active PAF antagonist cage molecule that is isolated from the leaves of the Ginkgo biloba tree. Shows potential in a wide variety of inflammatory and immunological disorders.
Structure Synonyms External IDs Not Available Product Ingredients Not Available Approved Prescription Products Not Available Approved Generic Prescription Products Not Available Approved Over the Counter Products Not Available Unapproved/Other Products Not Available International Brands Not Available Brand mixtures Not Available Categories UNII TAZ2DPR77B CAS number 15291-75-5 Weight Average: 408.3992 Monoisotopic: 408.142032366 Chemical Formula C 20H 24O 9 InChI Key FPUXKXIZEIDQKW-VKMVSBOZSA-N InChI
SMILES Pharmacology Indication Not Available Structured Indications Not Available Pharmacodynamics Not Available Mechanism of action Not Available Related Articles Absorption Not Available Volume of distribution Not Available Protein binding Not Available Metabolism Not Available Route of elimination Not Available Half life Not Available Clearance Not Available Toxicity Not Available Affected organisms Not Available Pathways Not Available Pharmacogenomic Effects/ADRs Not Available Interactions Drug Interactions Not Available Food Interactions Not Available References Synthesis Reference
Koji Nakanishi, Nina Berova, Katsunori Tanaka, "Preparation Of Ginkgolide And F-Seco-Ginkgolide Lactols." U.S. Patent US20080306145, issued December 11, 2008.
US20080306145 General References Not Available External Links ATC Codes Not Available AHFS Codes Not Available PDB Entries Not Available FDA label Not Available MSDS Not Available Clinical Trials Clinical Trials Not Available Pharmacoeconomics Manufacturers Not Available Packagers Not Available Dosage forms Not Available Prices Not Available Patents Not Available Properties State Solid Experimental Properties Not Available Predicted Properties Predicted ADMET features
Property Value Probability Human Intestinal Absorption + 0.9252 Blood Brain Barrier + 0.8384 Caco-2 permeable - 0.6669 P-glycoprotein substrate Substrate 0.6133 P-glycoprotein inhibitor I Non-inhibitor 0.649 P-glycoprotein inhibitor II Non-inhibitor 0.7998 Renal organic cation transporter Non-inhibitor 0.922 CYP450 2C9 substrate Non-substrate 0.8544 CYP450 2D6 substrate Non-substrate 0.8587 CYP450 3A4 substrate Substrate 0.6069 CYP450 1A2 substrate Non-inhibitor 0.9046 CYP450 2C9 inhibitor Non-inhibitor 0.9071 CYP450 2D6 inhibitor Non-inhibitor 0.9665 CYP450 2C19 inhibitor Non-inhibitor 0.9025 CYP450 3A4 inhibitor Non-inhibitor 0.9056 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9863 Ames test Non AMES toxic 0.5071 Carcinogenicity Non-carcinogens 0.9182 Biodegradation Not ready biodegradable 0.9898 Rat acute toxicity 2.8802 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9936 hERG inhibition (predictor II) Non-inhibitor 0.9252
ADMET data is predicted using
, a free tool for evaluating chemical ADMET properties. (
Spectra Mass Spec (NIST) Not Available Spectra Taxonomy Description This compound belongs to the class of chemical entities known as ginkgolides and bilobalides. These are diterpene lactones with a structure based either on the gingkolide or the bilobalide skeleton. The ginkgolide skeleton is a very rigid structure consisting of hexacyclic C20 trilactone. The cis-fused F/A/D/C ring junction forms an empty semi-ball hole, the D ring contains a cage form tetrahydrofuran ring which occupies the center of the empty hole, and the oxygen atoms of the D,C and F ring and 10-hydroxyl group consist of an analogous crown ether structure. Kingdom Chemical entities Super Class Organic compounds Class Lipids and lipid-like molecules Sub Class Prenol lipids Direct Parent Ginkgolides and bilobalides Alternative Parents Diterpenoids / Tricarboxylic acids and derivatives / Furofurans / Gamma butyrolactones / Tetrahydrofurans / Tertiary alcohols / Secondary alcohols / Cyclic alcohols and derivatives / Carboxylic acid esters / Oxacyclic compounds / Acetals / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds show 4 more Substituents Ginkgolide-skeleton / Diterpenoid / Tricarboxylic acid or derivatives / Furofuran / Gamma butyrolactone / Cyclic alcohol / Tetrahydrofuran / Tertiary alcohol / Carboxylic acid ester / Lactone / Secondary alcohol / Organoheterocyclic compound / Oxacycle / Acetal / Carboxylic acid derivative / Hydrocarbon derivative / Organic oxide / Organic oxygen compound / Carbonyl group / Alcohol / Organooxygen compound / Aliphatic heteropolycyclic compound show 12 more Molecular Framework Aliphatic heteropolycyclic compounds External Descriptors Not Available