acompound

Showing entry for Dihydromorphine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053515
Compound Name	Dihydromorphine
Structure
Formula	C17H21NO3
InchiKey	IJVCSMSMFSCRME-KBQPJGBKSA-N
SMILES	O[C@H]1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O
Inchi	InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
IUPAC	(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular Weight	287.15
Pubchem Id	5359421
Chembl Id	CHEMBL1500

Targets of Information Source

DrugBank

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
P35372	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	experimental; illicit	agonist
P41143	BXGT010223	Delta-type opioid receptor	reviewed	G-protein coupled receptor	OPRD1	experimental; illicit	agonist
P41145	BXGT010225	Kappa-type opioid receptor	reviewed	G-protein coupled receptor	OPRK1	experimental; illicit	agonist
O60858	BXGT004903	E3 ubiquitin-protein ligase TRIM13	reviewed	-	TRIM13	experimental; illicit	agonist
P01189	BXGT005742	Pro-opiomelanocortin	reviewed	-	POMC	experimental; illicit	agonist

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	BXGT009729	Delta-type opioid receptor	reviewed		Oprd1	-	-	100	-
reviewed	BXGT009780	Kappa-type opioid receptor	reviewed		Oprk1	-	-	830	-
reviewed	BXGT009731	Mu-type opioid receptor	reviewed		Oprm1	-	-	10	-
reviewed	BXGT009731	Mu-type opioid receptor	reviewed		Oprm1	-	-	200	-
reviewed	BXGT009731	Mu-type opioid receptor	reviewed		Oprm1	-	2.2	-	-
reviewed	BXGT009731	Mu-type opioid receptor	reviewed		Oprm1	-	29	-	-
reviewed	BXGT009731	Mu-type opioid receptor	reviewed		Oprm1	-	-	0.2	-

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
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	Kd	'='	200	nM
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	Kd	'='	200	nM
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	Kd	'='	200	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	IC50	'='	2	-
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	IC50	'='	2	-
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	IC50	'='	2	-
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	Kd	'='	100	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	Kd	'='	10	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	IC50	'='	29	-
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	IC50	'='	29	-
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	IC50	'='	29	-
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	Kd	'='	0	nM
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	Kd	'='	830	nM
P33535	BXGT009731	Mu-type opioid receptor	reviewed	-	Oprm1	Ratio	'='	13	-
P34975	BXGT009780	Kappa-type opioid receptor	reviewed	-	Oprk1	Ratio	'='	13	-
P33533	BXGT009729	Delta-type opioid receptor	reviewed	-	Oprd1	Ratio	'='	13	-

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

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}