acompound

Showing entry for resiniferatoxin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0013447
Compound Name	resiniferatoxin
Structure
Formula	C37H40O9
InchiKey	DSDNAKHZNJAGHN-MXTYGGKSSA-N
SMILES	COc1cc(ccc1O)CC(=O)OCC1=C[C@H]2[C@H]3O[C@]4(O[C@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)[C@@H](C[C@@]3(O4)C(=C)C)C)Cc1ccccc1
Inchi	InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
IUPAC
Molecular Weight	628.27
Pubchem Id	5702546
Chembl Id	CHEMBL17976

Targets of Information Source

DrugBank

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
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	investigational	-

PDB

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
O35433	BXGT004528	Transient receptor potential cation channel subfamily V member 1	reviewed	Trpv1	-	-	-	-	-
G1SNM3	BXGT003438	Transient receptor potential cation channel subfamily V member 2	unreviewed	TRPV2	-	-	-	-	-

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	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	23	-	-	-
reviewed	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	14	-	-	-
reviewed	BXGT004528	Transient receptor potential cation channel subfamily V member 1	reviewed		Trpv1	0.13	-	-	-
reviewed	BXGT004528	Transient receptor potential cation channel subfamily V member 1	reviewed		Trpv1	-	180	-	-

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
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	15848	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	19952	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	14125	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	14125	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	19952	nM
P11021	BXGT007644	Endoplasmic reticulum chaperone BiP	reviewed	-	HSPA5	Potency	-	25118	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF06265	Euphorbia resinifera	Euphorbia resinifera	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}