acompound

Showing entry for Aknadinine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025723
Compound Name	Aknadinine
Structure
Formula	C20H25NO5
InchiKey	XLWYWPDYNLZUJS-VQTJNVASSA-N
SMILES	COC1=C(OC)[C@@]23[C@](CC1=O)(CCN3C)c1c(CC2)ccc(c1O)OC
Inchi	InChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3/t19-,20+/m0/s1
IUPAC
Molecular Weight	359.17
Pubchem Id	159966
Chembl Id	CHEMBL1098359

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	BXGT010223	Delta-type opioid receptor	reviewed	G-protein coupled receptor	OPRD1	-	46000	-	-

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
P41145	BXGT010225	Kappa-type opioid receptor	reviewed	G-protein coupled receptor	OPRK1	Inhibition	'='	0	%
P41143	BXGT010223	Delta-type opioid receptor	reviewed	G-protein coupled receptor	OPRD1	IC50	'='	46000	nM
P35372	BXGT009823	Mu-type opioid receptor	reviewed	G-protein coupled receptor	OPRM1	Inhibition	'='	68	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02661	Sphaerophysa salsula	Sphaerophysa salsula	Others
BXGF02930	Euphorbia characias subsp. wulfenii	Euphorbia characias subsp. wulfenii	Medicinal Plant
BXGF02968	Doronicum grandiflorum	Doronicum grandiflorum	Others
BXGF02985	Stephania sasakii	Stephania sasakii	Medicinal Plant
BXGF03173	Oxytropis lanata	Oxytropis lanata	Others
BXGF03259	Populus balsamifera	Populus balsamifera	Medicinal Plant
BXGF03331	Strychnos gossweileri	Strychnos gossweileri	Others
BXGF03417	Leibnitzia anandria	Leibnitzia anandria	Medicinal Plant
BXGF03475	Lithocarpus haipinii	Lithocarpus haipinii	Others
BXGF04490	Stephania hernandifolia	Stephania hernandifolia	Medicinal Plant
BXGF04492	Stephania elegans	Stephania elegans	Medicinal Plant
BXGF05762	Ardisia hortorum	Ardisia hortorum	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}