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CHEBI:132333 - triptolidenol

ChEBI IDCHEBI:132333
ChEBI Nametriptolidenol
Stars
DefinitionA tetracyclic diterpenoid that is isolated from Tripterygium wilfordii and exhibits anti-inflammatory properties.
Last Modified1 August 2016
Submitterliuqingping
DownloadsMolfile
FormulaC20H24O7
Net Charge0
Average Mass376.405
Monoisotopic Mass376.15220
SMILES[H][C@@]12C[C@@H]3O[C@@]34[C@H](O)[C@@]3(C(C)(C)O)O[C@H]3[C@@H]3O[C@@]34[C@@]1(C)CCC1=C2COC1=O
InChIInChI=1S/C20H24O7/c1-16(2,23)19-12(26-19)13-20(27-13)17(3)5-4-8-9(7-24-14(8)21)10(17)6-11-18(20,25-11)15(19)22/h10-13,15,22-23H,4-7H2,1-3H3/t10-,11-,12-,13-,15-,17-,18+,19-,20+/m0/s1
InChIKeyAPBNDXHFQWSYOS-KSYZUNFVSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Tripterygium wilfordii (ncbitaxon:458696) - Article (Chinese Pharmacological Bulletin 1994, 10(1):54-57)
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)
triptolidenol (CHEBI:132333) has role plant metabolite (CHEBI:76924)
triptolidenol (CHEBI:132333) is a epoxide (CHEBI:32955)
triptolidenol (CHEBI:132333) is a secondary alcohol (CHEBI:35681)
triptolidenol (CHEBI:132333) is a tetracyclic diterpenoid (CHEBI:52557)
triptolidenol (CHEBI:132333) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-6a-(2-hydroxypropan-2-yl)-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one
Synonym  Source
15-HydroxytriptolideChemIDplus
Manual XrefsDatabases
TriptolidenolWikipedia
Registry NumbersSources
Reaxys:9526173Reaxys
CAS:99694-86-7ChemIDplus