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tinyatoxin

Go to external page http://purl.obolibrary.org/obo/CHEBI_9603

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).

Term info

Label

tinyatoxin

Synonyms
  • [(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
database cross reference
Subsets

3_STAR

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 [ IUPAC ]

charge

0

formula

C36H38O8

has obo namespace

chebi_ontology

id

CHEBI:9603

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

mass

598.692

monoisotopicmass

598.25667

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