acompound

Showing entry for L-Malic acid caffeate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000145
Compound Name	L-Malic acid caffeate
Structure
Formula	C13H12O8
InchiKey	PMKQSEYPLQIEAY-DUXPYHPUSA-N
SMILES	OC(=O)CC(OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O
Inchi	InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+
IUPAC	2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
Molecular Weight	296.23
Pubchem Id	6124299
Chembl Id	CHEMBL393293

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	4	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00134	Common bean	Phaseolus vulgaris	Pulses
BXGF00153	Radish	Raphanus sativus	Vegetables
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00819	Pulses		Pulses
BXGF00834	Yellow wax bean	Phaseolus vulgaris	Pulses
BXGF00835	Green bean	Phaseolus vulgaris	Pulses
BXGF04698	Isodon rubescens	Isodon rubescens	Others
BXGF05669	Marrubium velutinum	Marrubium velutinum	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}