CHEBI:9603 - tinyatoxin

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ChEBI Name tinyatoxin
ChEBI ID CHEBI:9603
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C36H38O8
Net Charge 0
Average Mass 598.692
Monoisotopic Mass 598.25667
InChI InChI=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
InChIKey WWZMXEIBZCEIFB-ACAXUWNGSA-N
SMILES C1(=C[C@]2([C@@]34[C@@H](C[C@]5([C@@]([C@@]3(C=C(C[C@@]2(C1=O)O)COC(=O)CC=6C=CC(=CC6)O)[H])(O[C@](O5)(O4)CC=7C=CC=CC7)[H])C(C)=C)C)[H])C
Metabolite of Species Details
Euphorbia poissonii (NCBI:txid212962) Isolated from latex. See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
neurotoxin
A poison that interferes with the functions of the nervous system.
TRPV1 agonist
An agonist at the transient receptor potential vanilloid 1 (TRPV1).
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ChEBI Ontology
Outgoing 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 Xrefs Databases
C00003492 KNApSAcK
C09201 KEGG COMPOUND
Tinyatoxin Wikipedia
US2009209633 Patent
WO2008011532 Patent
View more database links
Registry Numbers Types Sources
58821-95-7 CAS Registry Number KEGG COMPOUND
58821-95-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
14599363 PubMed citation Europe PMC
Last Modified
04 July 2019