acompound

Showing entry for (S)-trans-N-Feruloyloctopamine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043825
Compound Name	(S)-trans-N-Feruloyloctopamine
Structure
Formula	C18H19NO5
InchiKey	VJSCHQMOTSXAKB-UOWSJYKBSA-N
SMILES	COc1cc(/C=C/C(=NC[C@H](c2ccc(cc2)O)O)O)ccc1O
Inchi	InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+/t16-/m1/s1
IUPAC	(E)-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Molecular Weight	329.13
Pubchem Id	10042201
Chembl Id	CHEMBL465182

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	BXGT007687	Tyrosinase	reviewed		Tyr	-	>96000	-	-

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
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	190	%
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	-	-	-
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	225	%
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	182	%
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	IC50	'>'	96000	nM
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	106	%
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	203	%
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	121	%
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	165	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF05511	Acorus gramineus	Acorus gramineus	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}