acompound

General Compound Information
BXGC Id	BXGC0018840
Compound Name	(S)-Reticuline
Structure
Formula	C19H23NO4
InchiKey	BHLYRWXGMIUIHG-HNNXBMFYSA-N
SMILES	COc1ccc(cc1O)C[C@@H]1N(C)CCc2c1cc(O)c(c2)OC
Inchi	InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1
IUPAC	(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Molecular Weight	329.16
Pubchem Id	439653
Chembl Id	CHEMBL235212

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
P30986	BXGT009489	Reticuline oxidase	reviewed	BBE1	-	-	-	-	-

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	BXGT004559	Acetylcholinesterase	reviewed		ache	-	301010	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	65040	-	-

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	65040	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	57	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	-	-	-
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	84	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	52	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	301010	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
BXGF00135	Date	Phoenix dactylifera	Fruits
BXGF00402	Opium poppy	Papaver somniferum	Herbs and Spices
BXGF00446	Sugar apple	Annona squamosa	Fruits
BXGF00850	Tinospora capillipes	Tinospora capillipes	Others
BXGF00883	Chrozophora prostrata	Chrozophora prostrata	Medicinal Plant
BXGF01237	Magnolia obovata	Magnolia obovata	Medicinal Plant
BXGF01322	Solanum lasiocarpum	Solanum lasiocarpum	Medicinal Plant
BXGF01660	Thalictrum foliolosum	Thalictrum foliolosum	Medicinal Plant
BXGF03407	Stephania pierrei	Stephania pierrei	Medicinal Plant
BXGF03870	Aloe microstigma	Aloe microstigma	Others
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04085	Paratinospora sagittata	Paratinospora sagittata	Others
BXGF04467	Aglaia odorata	Aglaia odorata	Medicinal Plant
BXGF04921	Dicentra spectabilis	Dicentra spectabilis	Medicinal Plant
BXGF05030	nectandra salicifolia	nectandra salicifolia	Others
BXGF05264	Magnolia officinalis	Magnolia officinalis	Medicinal Plant
BXGF05319	Lindera aggregata	Lindera aggregata	Others
BXGF05622	Corydalis incisa	Corydalis incisa	Medicinal Plant
BXGF05626	Annona glabra	Annona glabra	Medicinal Plant
BXGF05702	Cinnamomum camphora	Cinnamomum camphora	Medicinal Plant
BXGF06266	Crotalaria pallida	Crotalaria pallida	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}