acompound

Showing entry for 2,3-Bis-[3-(3,4-Dihydroxy-Phenyl)-Acryloyloxy]-Succinic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042553
Compound Name	2,3-Bis-[3-(3,4-Dihydroxy-Phenyl)-Acryloyloxy]-Succinic Acid
Structure
Formula	C22H18O12
InchiKey	YDDGKXBLOXEEMN-FCXRPNKRSA-N
SMILES	O=C(OC(C(C(=O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Inchi	InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+
IUPAC	2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
Molecular Weight	474.08
Pubchem Id	5315820
Chembl Id	CHEMBL63592

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
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	80	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	180	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	96	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	150	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	130	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	97	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00049	Chicory	Cichorium intybus	Vegetables

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}