RESINIFERATOXIN


Synonyms	Lopain MTX-71 Mtx-071 Neuroclastin RTX Resiniferatoxin
Status
Molecule Category	UNKNOWN
UNII	A5O6P1UL4I
EPA CompTox	DTXSID00894764


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	DSDNAKHZNJAGHN-MXTYGGKSSA-N
Smiles	C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C37H40O9
Molecular Weight	628.72
AlogP	4.74
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	120.75
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	46.0

Bioactivity

Mechanism of Action	Action	Reference
Vanilloid receptor agonist	AGONIST	PubMed


Protein: Vanilloid receptor Description: Transient receptor potential cation channel subfamily V member 1 Organism : Homo sapiens Q8NER1 ENSG00000196689

Cross References

Resources	Reference
ChEBI	8809
ChEMBL	CHEMBL17976
DrugBank	DB06515
FDA SRS	A5O6P1UL4I
Guide to Pharmacology	2491
PDB	6EU
PubChem	5702546
SureChEMBL	SCHEMBL17792942
ZINC	ZINC000004262463

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).