acompound

Showing entry for Prenyl Caffeate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034851
Compound Name	Prenyl Caffeate
Structure
Formula	C14H16O4
InchiKey	TTYOHMFLCXENHR-GQCTYLIASA-N
SMILES	O=C(/C=C/c1ccc(c(c1)O)O)OCC=C(C)C
Inchi	InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+
IUPAC	3-methylbut-2-enyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Weight	248.1
Pubchem Id	5281790
Chembl Id	CHEMBL471184

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

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
P02766	BXGT005953	Transthyretin	reviewed	TTR	Transporter	-	-	-	-

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	BXGT005953	Transthyretin	reviewed	Transporter	TTR	-	-	-	21000

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
P02766	BXGT005953	Transthyretin	reviewed	Transporter	TTR	Inhibition	'<'	20	%
P02766	BXGT005953	Transthyretin	reviewed	Transporter	TTR	Activity	-	-	-
P02766	BXGT005953	Transthyretin	reviewed	Transporter	TTR	EC50	'='	21000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03618	Marrubium vulgare	Marrubium vulgare	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}