acompound

Showing entry for 6Beta-Hydroxystemofoline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045127
Compound Name	6Beta-Hydroxystemofoline
Structure
Formula	C22H31NO6
InchiKey	UYJQMJHUNWUKTG-YLMSMMQMSA-N
SMILES	CCCC[C@@]12[C@H]3C[C@@H]4N1C[C@H]([C@H]2[C@]1(O3)[C@@H]4[C@@H](C(O1)C1OC(=O)C(=C1OC)C)C)O
Inchi	InChI=1S/C22H31NO6/c1-5-6-7-21-14-8-12-15-10(2)17(18-16(26-4)11(3)20(25)27-18)29-22(15,28-14)19(21)13(24)9-23(12)21/h10,12-15,17-19,24H,5-9H2,1-4H3/t10-,12-,13+,14+,15+,17?,18?,19+,21-,22-/m0/s1
IUPAC
Molecular Weight	405.22
Pubchem Id	73345325
Chembl Id	CHEMBL2368529

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
O46128	BXGT004643	Nicotinic acetylcholine receptor alpha1 subunit	unreviewed	-	nAChR	EC50	'='	157	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04594	Stemona japonica	Stemona japonica	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}