acompound

Showing entry for 2-(3,4-Dihydroxybenzylidenyl)-3-(3,4-Dihydroxyphenyl)-4-Hydroxypentanedioic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045284
Compound Name	2-(3,4-Dihydroxybenzylidenyl)-3-(3,4-Dihydroxyphenyl)-4-Hydroxypentanedioic Acid
Structure
Formula	C18H16O9
InchiKey	GRVCQHNOZLCUEA-YHYXMXQVSA-N
SMILES	OC(C(/C(=C/c1ccc(c(c1)O)O)/C(=O)O)c1ccc(c(c1)O)O)C(=O)O
Inchi	InChI=1S/C18H16O9/c19-11-3-1-8(6-13(11)21)5-10(17(24)25)15(16(23)18(26)27)9-2-4-12(20)14(22)7-9/h1-7,15-16,19-23H,(H,24,25)(H,26,27)/b10-5-
IUPAC	(2Z)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxypentanedioic acid
Molecular Weight	376.08
Pubchem Id	57620293
Chembl Id	CHEMBL3112597

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	BXGT006354	Transcription factor AP-1	reviewed	Transcription factor	JUN	-	11900	-	-

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
P05412	BXGT006354	Transcription factor AP-1	reviewed	Transcription factor	JUN	IC50	'='	11900	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03509	Plectranthus amboinicus	Plectranthus amboinicus	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}