acompound

Showing entry for Ginkgolide A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0008380
Compound Name	Ginkgolide A
Structure
Formula	C20H24O9
InchiKey	FPUXKXIZEIDQKW-VKMVSBOZSA-N
SMILES	C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O
Inchi	InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1
IUPAC	8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,?.0?,11.013,1?]nonadecane-5,15,18-trione
Molecular Weight	408.4
Pubchem Id	9909368
Chembl Id	CHEMBL465161

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	-	3800	-	-
reviewed	BXGT008865	Glycine receptor subunit alpha-2	reviewed	Ion channel	GLRA2	-	2100	-	-
reviewed	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	-	1900	-	-
reviewed	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	-	690	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P23416	BXGT008865	Glycine receptor subunit alpha-2	reviewed	Ion channel	GLRA2	IC50	'='	1995	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	103	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-13	%
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	89125	nM
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	IC50	'='	630	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	6	%
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	IC50	'='	3800	nM
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	IC50	'='	1995	nM
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	IC50	'='	1900	nM
P23416	BXGT008865	Glycine receptor subunit alpha-2	reviewed	Ion channel	GLRA2	IC50	'='	2100	nM
P23415	BXGT008864	Glycine receptor subunit alpha-1	reviewed	Ion channel	GLRA1	IC50	'='	690	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	113	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00816	Fats and oils		Fats and oils
BXGF02268	Ginkgo semen	Ginkgo semen	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}