RESINIFERATOXIN

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Synonyms
RTX
Status
Molecule Category Free-form
UNII A5O6P1UL4I
EPA CompTox DTXSID00894764

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

Pharmacology

Mechanism of Action Action Reference
Vanilloid receptor agonist AGONIST PubMed

Target Conservation

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