acompound

Showing entry for Coclaurine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005611
Compound Name	Coclaurine
Structure
Formula	C17H19NO3
InchiKey	LVVKXRQZSRUVPY-UHFFFAOYSA-N
SMILES	COC1=CC2=C(C=C1O)C(CC1=CC=C(O)C=C1)NCC2
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
IUPAC	1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Molecular Weight	285.34
Pubchem Id	281691
Chembl Id	CHEMBL453291

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	18356	nM
P14618	BXGT008027	Pyruvate kinase PKM	reviewed	Kinase	PKM	Potency	'='	25118	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	19952	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
P27732	BXGT009204	Voltage-dependent L-type calcium channel subunit alpha-1D	reviewed	-	Cacna1d	Activity	'='	30	%
Q02485	BXGT012654	Voltage-dependent L-type calcium channel subunit alpha-1S	reviewed	-	Cacna1s	Activity	'='	30	%
P22002	BXGT008717	Voltage-dependent L-type calcium channel subunit alpha-1C	reviewed	-	Cacna1c	Activity	'='	30	%
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	Ki	'='	1071	nM
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	Ki	'='	1071	nM
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	Ki	'='	1071	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	580	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	28183	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	35481	nM
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	Potency	-	14125	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	39810	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	28183	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	79432	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	35481	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00014	Custard apple	Annona reticulata	Fruits
BXGF00440	Soursop	Annona muricata	Fruits

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}