acompound

Showing entry for Desoxyrhaponticin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0003792
Compound Name	Desoxyrhaponticin
Structure
Formula	C21H24O8
InchiKey	MFMQRDLLSRLUJY-DXKBKAGUSA-N
SMILES	COC1=CC=C(\C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1
Inchi	InChI=1S/C21H24O8/c1-27-15-6-4-12(5-7-15)2-3-13-8-14(23)10-16(9-13)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
IUPAC	(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	404.41
Pubchem Id	5316606
Chembl Id	CHEMBL113536

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	FC	'='	1	-
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	FC	'='	1	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	FC	'='	1	-
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	FC	'='	1	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00154	Garden rhubarb	Rheum rhabarbarum	Vegetables
BXGF02662	Rheum wittrocki	Rheum wittrocki	Medicinal Plant
BXGF04539	Rheum palmatum	Rheum palmatum	Medicinal Plant
BXGF06095	Rheum undulatum	Rheum undulatum	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}