CHEBI:132621 - 16-hydroxytriptolide

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ChEBI Name 16-hydroxytriptolide
ChEBI ID CHEBI:132621
Definition A tetracyclic diterpenoid with formula C20H24O7, originally isolated from the roots and leaves of Tripterygium wilfordii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C20H24O7
Net Charge 0
Average Mass 376.401
Monoisotopic Mass 376.15220
InChI InChI=1S/C20H24O7/c1-8(6-21)18-13(26-18)14-20(27-14)17(2)4-3-9-10(7-24-15(9)22)11(17)5-12-19(20,25-12)16(18)23/h8,11-14,16,21,23H,3-7H2,1-2H3/t8-,11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
InChIKey HPTCYMNPHWXVLA-UBBHAYRHSA-N
SMILES [C@@]123[C@@]4([C@H](C[C@@]5([C@@]1(CCC6=C5COC6=O)C)[H])O4)[C@@H]([C@]7([C@H](CO)C)[C@H]([C@@H]2O3)O7)O
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: PubMed
Tripterygium wilfordii (NCBI:txid458696) Found in root (BTO:0001188). See: PubMed
Tripterygium wilfordii (NCBI:txid458696) Found in leaf (BTO:0000713). See: PubMed
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.
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 16-hydroxytriptolide (CHEBI:132621) has role plant metabolite (CHEBI:76924)
16-hydroxytriptolide (CHEBI:132621) has role rat metabolite (CHEBI:86264)
16-hydroxytriptolide (CHEBI:132621) has role xenobiotic metabolite (CHEBI:76206)
16-hydroxytriptolide (CHEBI:132621) is a γ-lactone (CHEBI:37581)
16-hydroxytriptolide (CHEBI:132621) is a diol (CHEBI:23824)
16-hydroxytriptolide (CHEBI:132621) is a epoxide (CHEBI:32955)
16-hydroxytriptolide (CHEBI:132621) is a primary alcohol (CHEBI:15734)
16-hydroxytriptolide (CHEBI:132621) is a secondary alcohol (CHEBI:35681)
16-hydroxytriptolide (CHEBI:132621) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name
(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-6a-[(2S)-1-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
(15S)-16-hydroxytriptolide ChEBI
Manual Xrefs Databases
EP1946758 Patent
WO0217931 Patent
WO2008087202 Patent
WO9426265 Patent
View more database links
Registry Numbers Types Sources
139713-80-7 CAS Registry Number ChemIDplus
29579833 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16196270 PubMed citation Europe PMC
17250858 PubMed citation Europe PMC
1823717 PubMed citation Europe PMC
1838954 PubMed citation Europe PMC
24096206 PubMed citation Europe PMC
25296383 PubMed citation Europe PMC
7750290 PubMed citation Europe PMC
Last Modified
23 November 2016