acompound

Showing entry for Leonotinin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035881
Compound Name	Leonotinin
Structure
Formula	C20H26O5
InchiKey	TYPXWADRUZBXSO-FHZWTMRJSA-N
SMILES	O=C1O[C@H]2[C@H]3[C@]1(C)CCC[C@]3(C)[C@@]([C@@]1(C2)CO1)(O)CCc1cocc1
Inchi	InChI=1S/C20H26O5/c1-17-6-3-7-18(2)15(17)14(25-16(17)21)10-19(12-24-19)20(18,22)8-4-13-5-9-23-11-13/h5,9,11,14-15,22H,3-4,6-8,10,12H2,1-2H3/t14-,15+,17+,18+,19-,20+/m1/s1
IUPAC
Molecular Weight	346.18
Pubchem Id	636934
Chembl Id	CHEMBL2036989

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	BXGT008708	D(1B) dopamine receptor	reviewed	G-protein coupled receptor	DRD5	>10000	-	-	-
reviewed	BXGT009004	Histamine H2 receptor	reviewed	G-protein coupled receptor	HRH2	>10000	-	-	-
reviewed	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	>10000	-	-	-

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
P25021	BXGT009004	Histamine H2 receptor	reviewed	G-protein coupled receptor	HRH2	Ki	'>'	10000	nM
P25021	BXGT009004	Histamine H2 receptor	reviewed	G-protein coupled receptor	HRH2	Inhibition	'>'	50	%
P21918	BXGT008708	D(1B) dopamine receptor	reviewed	G-protein coupled receptor	DRD5	Ki	'>'	10000	nM
P20309	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	Ki	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04125	Leonurus sibiricus	Leonurus sibiricus	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}