acompound

Showing entry for Veratramine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043681
Compound Name	Veratramine
Structure
Formula	C27H39NO2
InchiKey	MALFODICFSIXPO-KFKQDBFTSA-N
SMILES	C[C@@H]1CN[C@H]([C@@H](C1)O)[C@H](c1ccc2c(c1C)C[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Inchi	InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1
IUPAC	(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol
Molecular Weight	409.3
Pubchem Id	6070
Chembl Id	CHEMBL464724

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	-	19460	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	10780	-	-

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
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'='	19460	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	-	-	-
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	10780	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	24	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	66	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02133	Veratrum nigrum	Veratrum nigrum	Medicinal Plant
BXGF04800	Leptactina senegambica	Leptactina senegambica	Others
BXGF05261	Artemisia chinensis	Artemisia chinensis	Medicinal Plant
BXGF05362	Veratrum grandiflorum	Veratrum grandiflorum	Medicinal Plant
BXGF06140	Tanacetum parthenium	Tanacetum parthenium	Medicinal Plant
BXGF06328	Garcinia quaesita	Garcinia quaesita	Human Edible 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}