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CHEBI:132622 - triptophenolide methyl ether

ChEBI IDCHEBI:132622
ChEBI Nametriptophenolide methyl ether
Stars
DefinitionA tetracyclic diterpenoid with formula C21H26O3, originally isolated from Tripterygium wilfordii.
Last Modified23 November 2016
Submitterliuqingping
DownloadsMolfile
FormulaC21H26O3
Net Charge0
Average Mass326.436
Monoisotopic Mass326.18819
SMILES[H][C@@]12CCc3c(ccc(C(C)C)c3OC)[C@@]1(C)CCC1=C2COC1=O
InChIInChI=1S/C21H26O3/c1-12(2)13-5-7-17-15(19(13)23-4)6-8-18-16-11-24-20(22)14(16)9-10-21(17,18)3/h5,7,12,18H,6,8-11H2,1-4H3/t18-,21+/m0/s1
InChIKeyJQYCSQASGZODFD-GHTZIAJQSA-N
Species of MetaboliteComponentSourceComments
Tripterygium wilfordii (ncbitaxon:458696) - PubMed (7102323)
Roles Classification
Biological Role:
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)
triptophenolide methyl ether (CHEBI:132622) has role plant metabolite (CHEBI:76924)
triptophenolide methyl ether (CHEBI:132622) is a aromatic ether (CHEBI:35618)
triptophenolide methyl ether (CHEBI:132622) is a organic heterotetracyclic compound (CHEBI:38163)
triptophenolide methyl ether (CHEBI:132622) is a tetracyclic triterpenoid (CHEBI:26893)
triptophenolide methyl ether (CHEBI:132622) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3bR,9bS)-6-methoxy-9b-methyl-7-(propan-2-yl)-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one
Manual XrefsDatabases
WO9113627Patent
Registry NumbersSources
Reaxys:7440813Reaxys
CAS:74311-48-1ChemIDplus
Citations