acompound

Showing entry for n.a

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0026304
Compound Name	n.a
Structure
Formula	C30H24O12
InchiKey	MSVVDBMAVSBGAQ-OUECKCITSA-N
SMILES	Oc1cc(O)c2c(c1)O[C@@]1([C@H]([C@@H]2c2c(O)cc(c3c2O[C@@H]([C@@H](C3)O)c2ccc(c(c2)O)O)O)O1)c1ccc(c(c1)O)O
Inchi	InChI=1S/C30H24O12/c31-13-7-20(37)24-23(8-13)41-30(12-2-4-16(33)19(36)6-12)29(42-30)26(24)25-21(38)10-17(34)14-9-22(39)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-27,29,31-39H,9H2/t22-,26+,27-,29+,30+/m1/s1
IUPAC	(2R,3R)-8-[(1aR,7S,7aS)-1a-(3,4-dihydroxyphenyl)-4,6-dihydroxy-7,7a-dihydrooxireno[2,3-b]chromen-7-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Weight	576.13
Pubchem Id	76325280
Chembl Id	CHEMBL3120540

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
Q05117	BXGT012807	Tartrate-resistant acid phosphatase type 5	reviewed	-	Acp5	Inhibition	'='	97	%
Q05117	BXGT012807	Tartrate-resistant acid phosphatase type 5	reviewed	-	Acp5	Inhibition	'='	106	%
Q05117	BXGT012807	Tartrate-resistant acid phosphatase type 5	reviewed	-	Acp5	Inhibition	'='	216	%
Q05117	BXGT012807	Tartrate-resistant acid phosphatase type 5	reviewed	-	Acp5	Inhibition	'='	199	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04712	Prunus mume	Prunus mume	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}