acompound

Showing entry for Puerarin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0015760
Compound Name	Puerarin
Structure
Formula	C21H20O9
InchiKey	HKEAFJYKMMKDOR-VPRICQMDSA-N
SMILES	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O
Inchi	InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
IUPAC	7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular Weight	416.11
Pubchem Id	5281807
Chembl Id	CHEMBL486386

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	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	>10000	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	>10000	-	-	-
reviewed	BXGT008802	Carbonic anhydrase 4	reviewed		CA4	>10000	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	453	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	515	-	-	-

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
Q99685	BXGT019948	Monoglyceride lipase	reviewed	Enzyme	MGLL	Inhibition	'='	52	%
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	31622	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	-	-	-
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'>'	10000	nM
P22748	BXGT008802	Carbonic anhydrase 4	reviewed	-	CA4	Ki	'>'	10000	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	10000	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	452	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	515	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01307	Hemerocallis radix	Hemerocallis radix	Others
BXGF01682	Bertya dimerostigma	Bertya dimerostigma	Others
BXGF02548	Hemerocallis fulva	Hemerocallis fulva	Medicinal Plant
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04128	Delphinium barbeyi	Delphinium barbeyi	Medicinal Plant
BXGF04750	Scutellaria baicalensis	Scutellaria baicalensis	Medicinal Plant
BXGF04875	Bupleurum chinense	Bupleurum chinense	Medicinal Plant
BXGF04943	Pueraria lobata	Pueraria lobata	Medicinal Plant
BXGF05473	Astragalus wiedemannianus	Astragalus wiedemannianus	Others
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF06079	Pueraria montana var. lobata	Pueraria montana var. lobata	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}