acompound

Showing entry for Harpagoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036869
Compound Name	Harpagoside
Structure
Formula	C24H30O11
InchiKey	KVRQGMOSZKPBNS-FMHLWDFHSA-N
SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3([C@H]2[C@@](C)(OC(=O)/C=C/c2ccccc2)C[C@H]3O)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1
IUPAC	[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
Molecular Weight	494.18
Pubchem Id	5281542
Chembl Id	CHEMBL516702

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

n.a

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

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
O35235	BXGT004518	Tumor necrosis factor ligand superfamily member 11	reviewed	-	Tnfsf11	Inhibition	-	-	-
Q8CIH5	BXGT017942	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2	reviewed	-	Plcg2	Inhibition	-	-	-
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	115	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	17782	nM
P35991	BXGT009889	Tyrosine-protein kinase BTK	reviewed	-	Btk	Inhibition	-	-	-
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Inhibition	-	-	-
Q962Y6	BXGT019597	Thioredoxin glutathione reductase	unreviewed	-	TGR	Potency	'='	3548	nM
Q6P1E0	BXGT016443	Tyrosine-protein kinase	unreviewed	-	Syk	Inhibition	-	-	-
Q02248	BXGT012646	Catenin beta-1	reviewed	-	Ctnnb1	Activity	-	-	-
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01941	Scrophularia nodosa	Scrophularia nodosa	Medicinal Plant
BXGF05341	Scrophularia ningpoensis	Scrophularia ningpoensis	Medicinal Plant
BXGF05491	Harpagophytum procumbens	Harpagophytum procumbens	Medicinal Plant
BXGF05670	Scrophularia buergeriana	Scrophularia buergeriana	Medicinal Plant

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}