acompound

Showing entry for Hirsutine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0013930
Compound Name	Hirsutine
Structure
Formula	C22H28N2O3
InchiKey	NMLUOJBSAYAYEM-AZQGJTAVSA-N
SMILES	CO/C=C(\[C@H]1C[C@H]2N(C[C@@H]1CC)CCc1c2[nH]c2c1cccc2)/C(=O)OC
Inchi	InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1
IUPAC	methyl (E)-2-[(2S,3R,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Molecular Weight	368.21
Pubchem Id	3037884
Chembl Id	CHEMBL327134

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	BXGT006430	Cholinesterase	reviewed		BCHE	-	1970	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	4970	-	-

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	4970	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	9	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	-	-	-
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'='	1970	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	87	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	Medicinal Plant
BXGF01767	Uncaria rhynchophylla	Uncaria rhynchophylla	Medicinal Plant
BXGF02475	Uncaria sessilifructus	Uncaria sessilifructus	Medicinal Plant
BXGF02619	Liquidambar formosana	Liquidambar formosana	Medicinal Plant
BXGF04259	Uncaria tomentosa	Uncaria tomentosa	Medicinal Plant
BXGF04864	Uncaria sinensis	Uncaria sinensis	Medicinal Plant
BXGF05116	Uncaria guianensis	Uncaria guianensis	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}