acompound

Showing entry for Rhapontigenin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0046067
Compound Name	Rhapontigenin
Structure
Formula	C16H16O4
InchiKey	WHKSEHKYYXHCTA-ONEGZZNKSA-N
SMILES	COc1cc(/C=C/c2cc(O)cc(c2)O)ccc1OC
Inchi	InChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(17)10-14(18)8-12/h3-10,17-18H,1-2H3/b4-3+
IUPAC	5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol
Molecular Weight	272.1
Pubchem Id	44563762
Chembl Id	CHEMBL473518

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	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	290	-	-
reviewed	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	-	21300	-	-
reviewed	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	90	-	-	-

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
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'='	290	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Kinact	'='	0	min-1
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	FC	'='	0	-
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	FC	'='	0	-
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	'='	21300	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Ki	'='	90	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05046	stuhlmannia moavi	stuhlmannia moavi	Others

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}