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CHEBI:9603 - tinyatoxin

ChEBI IDCHEBI:9603
ChEBI Nametinyatoxin
Stars
DefinitionA heteropentacyclic compound found in Euphorbia poissonii with molecular formula C36H38O8. It is an agonist of the transient receptor potential cation channel subfamily V member 1 (TrpV1).
Last Modified4 July 2019
DownloadsMolfile
FormulaC36H38O8
Net Charge0
Average Mass598.692
Monoisotopic Mass598.25667
SMILES[H][C@@]12C=C(COC(=O)Cc3ccc(O)cc3)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@]13O[C@]1(Cc4ccccc4)O[C@@]2([H])[C@](C(=C)C)(C[C@H]3C)O1
InChIInChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35-,36-/m1/s1
InChIKeyWWZMXEIBZCEIFB-ACAXUWNGSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Euphorbia poissonii (ncbitaxon:212962) - DOI (/10.1016/S0031-9422(00)89024-X) Isolated from latex.
Roles Classification
Biological Roles:
TRPV1 agonist  An agonist at the transient receptor potential vanilloid 1 (TRPV1).
neurotoxin  A poison that interferes with the functions of the nervous system.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
tinyatoxin (CHEBI:9603) has role neurotoxin (CHEBI:50910)
tinyatoxin (CHEBI:9603) has role plant metabolite (CHEBI:76924)
tinyatoxin (CHEBI:9603) has role TRPV1 agonist (CHEBI:140535)
tinyatoxin (CHEBI:9603) is a carboxylic ester (CHEBI:33308)
tinyatoxin (CHEBI:9603) is a diterpenoid (CHEBI:23849)
tinyatoxin (CHEBI:9603) is a enone (CHEBI:51689)
tinyatoxin (CHEBI:9603) is a organic heteropentacyclic compound (CHEBI:38164)
tinyatoxin (CHEBI:9603) is a ortho ester (CHEBI:71989)
tinyatoxin (CHEBI:9603) is a phenols (CHEBI:33853)
tinyatoxin (CHEBI:9603) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
[(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl (4-hydroxyphenyl)acetate
Manual XrefsDatabases
C09201KEGG COMPOUND
C00003492KNApSAcK
TinyatoxinWikipedia
US2009209633Patent
WO2008011532Patent
Registry NumbersSources
CAS:58821-95-7KEGG COMPOUND
CAS:58821-95-7ChemIDplus
Citations