acompound

Showing entry for (R)-(+)-Coclaurine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0050517
Compound Name	(R)-(+)-Coclaurine
Structure
Formula	C17H19NO3
InchiKey	LVVKXRQZSRUVPY-OAHLLOKOSA-N
SMILES	COc1cc2CCN[C@@H](c2cc1O)Cc1ccc(cc1)O
Inchi	InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m1/s1
IUPAC	(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Molecular Weight	285.14
Pubchem Id	440989
Chembl Id	CHEMBL256448

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	BXGT011367	D(2) dopamine receptor	reviewed		Drd2	-	130	-	-
reviewed	BXGT008440	D(1A) dopamine receptor	reviewed		Drd1	-	240	-	-

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
P18901	BXGT008440	D(1A) dopamine receptor	reviewed	-	Drd1	IC50	'='	240	nM
P61169	BXGT011367	D(2) dopamine receptor	reviewed	-	Drd2	IC50	'='	130	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00135	Date	Phoenix dactylifera	Fruits
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF01322	Solanum lasiocarpum	Solanum lasiocarpum	Medicinal Plant
BXGF04467	Aglaia odorata	Aglaia odorata	Medicinal Plant
BXGF05163	Cyclea barbata	Cyclea barbata	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}