acompound

Showing entry for Voacristine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045996
Compound Name	Voacristine
Structure
Formula	C22H28N2O4
InchiKey	OYMQKBZMKFJPMH-DPOSBGKNSA-N
SMILES	COC(=O)[C@@]12C[C@H]3CN([C@H]1[C@H](C3)[C@@H](O)C)CCc1c2[nH]c2c1cc(cc2)OC
Inchi	InChI=1S/C22H28N2O4/c1-12(25)16-8-13-10-22(21(26)28-3)19-15(6-7-24(11-13)20(16)22)17-9-14(27-2)4-5-18(17)23-19/h4-5,9,12-13,16,20,23,25H,6-8,10-11H2,1-3H3/t12-,13-,16+,20-,22+/m0/s1
IUPAC
Molecular Weight	384.2
Pubchem Id	44566752
Chembl Id	CHEMBL463317

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	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	-	-	-	30000
reviewed	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed		Trpm8	-	-	-	27000
reviewed	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	-	>200000	-	-
reviewed	BXGT004559	Acetylcholinesterase	reviewed		ache	-	420000	-	-

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
Q8R4D5	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	IC50	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	420000	nM
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	Activity	-	-	-
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	EC50	'='	30000	nM
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	IC50	-	-	-
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	EC50	-	-	-
Q8R4D5	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	Activity	'='	65	%
Q8R4D5	BXGT018686	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	EC50	'='	27000	nM
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	Activity	-	-	-
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	IC50	'>'	200000	nM
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	Activity	'='	80	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05023	tabernaemontana calcarea	tabernaemontana calcarea	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}