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> Main
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.
View more via ChEBI Ontology
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