acompound

Showing entry for dihydrocodeine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0049231
Compound Name	dihydrocodeine
Structure
Formula	C18H23NO3
InchiKey	RBOXVHNMENFORY-DNJOTXNNSA-N
SMILES	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CC[C@@H]1O)C
Inchi	InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
IUPAC	(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Molecular Weight	301.17
Pubchem Id	5284543
Chembl Id	CHEMBL1595

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
G3HZR5	BXGT003475	Kappa-type opioid receptor	unreviewed	-	I79_016575	Inhibition	'='	4	%
P56560	BXGT011180	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	Activity	-	-	-
P21398	BXGT008645	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Activity	-	-	-
G3HZR5	BXGT003475	Kappa-type opioid receptor	unreviewed	-	I79_016575	Inhibition	'='	51	%
G3H1Y1	BXGT003473	Delta-type opioid receptor	unreviewed	-	I79_004173	Inhibition	'='	7	%
P35372	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	Inhibition	'='	17	%
P35372	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	Inhibition	'='	40	%
G3H1Y1	BXGT003473	Delta-type opioid receptor	unreviewed	-	I79_004173	Inhibition	'='	24	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00402	Opium poppy	Papaver somniferum	Herbs and Spices
BXGF00883	Chrozophora prostrata	Chrozophora prostrata	Medicinal Plant
BXGF03870	Aloe microstigma	Aloe microstigma	Others

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}