16-hydroxytriptolide (CHEBI:132621)

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CHEBI:132621 - 16-hydroxytriptolide

ChEBI ID	CHEBI:132621
ChEBI Name	16-hydroxytriptolide
Stars
Definition	A tetracyclic diterpenoid with formula C₂₀H₂₄O₇, originally isolated from the roots and leaves of Tripterygium wilfordii.
Last Modified	23 November 2016
Submitter	liuqingping
Downloads	Molfile

Formula	C20H24O7
Net Charge	0
Average Mass	376.405
Monoisotopic Mass	376.15220
SMILES	[H][C@@]12C[C@@H]3O[C@@]34[C@H](O)[C@@]3([C@@H](C)CO)O[C@H]3[C@@H]3O[C@@]34[C@@]1(C)CCC1=C2COC1=O
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

Species of Metabolite	Component	Source
Tripterygium wilfordii (ncbitaxon:458696)
	leaf (BTO:0000713)	PubMed (1823717)
	root (BTO:0001188)	PubMed (1823717)
Rattus norvegicus (ncbitaxon:10116)	-	PubMed (24096206)

Roles Classification

Biological Roles:

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.

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)
	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 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)
	16-hydroxytriptolide (CHEBI:132621) is a γ-lactone (CHEBI:37581)

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
WO9426265	Patent
EP1946758	Patent
WO2008087202	Patent
WO0217931	Patent

Registry Numbers	Sources
Reaxys:29579833	Reaxys
CAS:139713-80-7	ChemIDplus

Citations