CHEBI:78258 - oryzalexin A

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ChEBI Name oryzalexin A
ChEBI ID CHEBI:78258
Definition A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing additional hydroxy and oxo substituents at the 3α- and 7-positions respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Secondary ChEBI IDs CHEBI:7796
Supplier Information
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Formula C20H30O2
Net Charge 0
Average Mass 302.45100
Monoisotopic Mass 302.22458
InChI InChI=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
InChIKey QOWLIQGNZBOQNG-JECYIRHJSA-N
SMILES CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C)C=C3C(=O)C[C@H]12
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.
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ChEBI Ontology
Outgoing 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 Sources
3α,7-oxo-ent-sandaracopimaradiene ChEBI
3α-ent-sandaracopimaradien-7-one ChEBI
Manual Xrefs Databases
C00003461 KNApSAcK
C09148 KEGG COMPOUND
CPD-7093 MetaCyc
View more database links
Registry Numbers Types Sources
5285581 Reaxys Registry Number Reaxys
85394-31-6 CAS Registry Number KEGG COMPOUND
85394-31-6 CAS Registry Number ChemIDplus
Last Modified
28 July 2014