acompound

Showing entry for 4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019417
Compound Name	4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Structure
Formula	C19H21NO4
InchiKey	UZHSEJADLWPNLE-UHFFFAOYSA-N
SMILES	C=CCN1CCC23C4(C1Cc1c3c(OC2C(=O)CC4)c(cc1)O)O
Inchi	InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2
IUPAC	4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Molecular Weight	327.15
Pubchem Id	4425
Chembl Id	CHEMBL609673

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	BXGT009731	Mu-type opioid receptor	reviewed		Oprm1	1.63	-	-	-
reviewed	BXGT010223	Delta-type opioid receptor	reviewed	G-protein coupled receptor	OPRD1	488	-	-	-
reviewed	BXGT010223	Delta-type opioid receptor	reviewed	G-protein coupled receptor	OPRD1	66.2	-	-	-
reviewed	BXGT010223	Delta-type opioid receptor	reviewed	G-protein coupled receptor	OPRD1	33	-	-	-
reviewed	BXGT010225	Kappa-type opioid receptor	reviewed	G-protein coupled receptor	OPRK1	9.2	-	-	-
reviewed	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	3.7	-	-	-
reviewed	BXGT026175	Nociceptin receptor	reviewed		Oprl1	1000	-	-	-

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

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}