neotriptophenolide (CHEBI:132346)

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ChEBI Name	neotriptophenolide

ChEBI ID	CHEBI:132346

Definition	A tetracyclic diterpenoid with formula C₂₁H₂₆O₄, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	qingping liu

Supplier Information

Download	Molfile XML SDF

Formula

C21H26O4

Net Charge

Average Mass

342.430

Monoisotopic Mass

342.18311

InChI

InChI=1S/C21H26O4/c1-11(2)14-9-17(22)18-13(19(14)24-4)5-6-16-15-10-25-20(23)12(15)7-8-21(16,18)3/h9,11,16,22H,5-8,10H2,1-4H3/t16-,21-/m0/s1

InChIKey

YQHBJMHUMJXFDN-KKSFZXQISA-N

SMILES

O1CC=2[C@]3([C@](CCC2C1=O)(C=4C(CC3)=C(OC)C(=CC4O)C(C)C)C)[H]

Metabolite of Species	Details
Tripterygium hypoglaucum (NCBI:txid205465)	See: PubMed
Tripterygium wilfordii (NCBI:txid458696)	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.

ChEBI Ontology
Outgoing	neotriptophenolide (CHEBI:132346) has role plant metabolite (CHEBI:76924) neotriptophenolide (CHEBI:132346) is a γ-lactone (CHEBI:37581) neotriptophenolide (CHEBI:132346) is a aromatic ether (CHEBI:35618) neotriptophenolide (CHEBI:132346) is a organic heterotetracyclic compound (CHEBI:38163) neotriptophenolide (CHEBI:132346) is a phenols (CHEBI:33853) neotriptophenolide (CHEBI:132346) is a tetracyclic triterpenoid (CHEBI:26893)

IUPAC Name

(3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-(propan-2-yl)-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one

Citation	Type	Source
7102323	PubMed citation	Europe PMC

Last Modified

24 October 2016