acompound

Showing entry for n.a

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019528
Compound Name	n.a
Structure
Formula	C21H20O9
InchiKey	QKPDYSSHOSPOKH-WFMVXBLUSA-N
SMILES	OC[C@@H]1O[C@H](Oc2cc(C)cc3c2C(=O)c2c(C3=O)cccc2O)[C@H]([C@@H]([C@H]1O)O)O
Inchi	InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m0/s1
IUPAC	8-hydroxy-3-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Molecular Weight	416.11
Pubchem Id	46905240
Chembl Id	CHEMBL1159599

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
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Control	'='	105	%
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Control	'='	105	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Control	'='	114	%
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Control	'='	114	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Control	'='	104	%
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Control	'='	104	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01126	Polygonum cuspidatum	Polygonum cuspidatum	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}