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CHEBI:67900 - salvinorin A

ChEBI IDCHEBI:67900
ChEBI Namesalvinorin A
Stars
DefinitionA natural product found in Salvia divinorum.
Last Modified6 March 2020
DownloadsMolfile
FormulaC23H28O8
Net Charge0
Average Mass432.469
Monoisotopic Mass432.17842
SMILES[H][C@]12C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]1(C)CC[C@@]1([H])C(=O)O[C@]([H])(c3ccoc3)C[C@]21C
InChIInChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
InChIKeyOBSYBRPAKCASQB-AGQYDFLVSA-N
Species of MetaboliteComponentSourceComments
Salvia divinorum (ncbitaxon:28513) - PubMed (21338114)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
oneirogen  Any substance that produces or enhances dream-like states of consciousness.
ChEBI Ontology
Outgoing Relation(s)
salvinorin A (CHEBI:67900) has role metabolite (CHEBI:25212)
salvinorin A (CHEBI:67900) has role oneirogen (CHEBI:146270)
salvinorin A (CHEBI:67900) is a organic heterotricyclic compound (CHEBI:26979)
salvinorin A (CHEBI:67900) is a organooxygen compound (CHEBI:36963)
Synonyms  Source
(2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(furan-3-yl)-6a,10bdimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylateChEBI
Divinorin AChEBI
Registry NumbersSources
CAS:83729-01-5ChemIDplus
Citations