acompound

Showing entry for Nb-trans-Feruloylserotonin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004866
Compound Name	Nb-trans-Feruloylserotonin
Structure
Formula	C20H20N2O4
InchiKey	WGHKJYWENWLOMY-XVNBXDOJSA-N
SMILES	COC1=CC(\C=C\C(=O)NCCC2=CNC3=C2C=C(O)C=C3)=CC=C1O
Inchi	InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+
IUPAC	(2E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Molecular Weight	352.38
Pubchem Id	5969616
Chembl Id	CHEMBL564482

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	-	216000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	8000	-	-

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	Activity	'='	29	%
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	Activity	'='	48	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	8000	nM
P07265	BXGT006583	Alpha-glucosidase MAL62	reviewed	-	MAL62	IC50	'='	99800	nM
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	IC50	'='	216000	nM
P07265	BXGT006583	Alpha-glucosidase MAL62	reviewed	-	MAL62	Inhibition	-	-	-
P07265	BXGT006583	Alpha-glucosidase MAL62	reviewed	-	MAL62	Ki	'='	129800	nM
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'='	18	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	2	%
P52332	BXGT026121	Tyrosine-protein kinase JAK1	reviewed	-	Jak1	Inhibition	-	-	-
Q9Z1B7	BXGT022403	Mitogen-activated protein kinase 13	reviewed	-	Mapk13	Inhibition	-	-	-
Q9WUI1	BXGT021940	Mitogen-activated protein kinase 11	reviewed	-	Mapk11	Inhibition	-	-	-
O08911	BXGT004043	Mitogen-activated protein kinase 12	reviewed	-	Mapk12	Inhibition	-	-	-
P47811	BXGT010587	Mitogen-activated protein kinase 14	reviewed	-	Mapk14	Inhibition	-	-	-
P01101	BXGT005728	Proto-oncogene c-Fos	reviewed	-	Fos	Inhibition	-	-	-
P05412	BXGT006354	Transcription factor AP-1	reviewed	Transcription factor	JUN	Inhibition	-	-	-
P05627	BXGT026143	Transcription factor AP-1	reviewed	-	Jun	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00816	Fats and oils		Fats and oils
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF01074	Centella asiatica	Centella asiatica	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}