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CHEBI:78258 - oryzalexin A

ChEBI IDCHEBI:78258
ChEBI Nameoryzalexin A
Stars
DefinitionA tricyclic diterpenoid that is ent-sandaracopimaradiene bearing additional hydroxy and oxo substituents at the 3α- and 7-positions respectively.
Secondary ChEBI IDCHEBI:7796
Last Modified28 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@@]12CC[C@@](C)(C=C)C=C1C(=O)C[C@]1([H])C(C)(C)[C@H](O)CC[C@@]21C
InChIInChI=1S/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16-17,22H,1,7-11H2,2-5H3/t14-,16-,17-,19-,20+/m1/s1
InChIKeyQOWLIQGNZBOQNG-JECYIRHJSA-N
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)
oryzalexin A (CHEBI:78258) has role plant metabolite (CHEBI:76924)
oryzalexin A (CHEBI:78258) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(3α,5β,9β,10α)-3-hydroxypimara-8(14),15-dien-7-one
Synonyms  Source
3α,7-oxo-ent-sandaracopimaradieneChEBI
3α-ent-sandaracopimaradien-7-oneChEBI
Manual XrefsDatabases
C09148KEGG COMPOUND
CPD-7093MetaCyc
C00003461KNApSAcK
Registry NumbersSources
Reaxys:5285581Reaxys
CAS:85394-31-6KEGG COMPOUND
CAS:85394-31-6ChemIDplus