Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:67287 - 17-epiazadiradione
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
17-epiazadiradione
ChEBI ID
CHEBI:67287
Definition
A limonoid that is the
C
-17 epimer of azadiradione. It has been isolated from
Azadirachta indica
.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C28H34O5
Net Charge
0
Average Mass
450.56660
Monoisotopic Mass
450.24062
InChI
InChI=1S/C28H34O5/c1-
16(29)
33-
23-
14-
20-
25(2,3)
22(31)
8-
11-
26(20,4)
19-
7-
10-
27(5)
21(28(19,23)
6)
13-
18(30)
24(27)
17-
9-
12-
32-
15-
17/h8-
9,11-
13,15,19-
20,23-
24H,7,10,14H2,1-
6H3/t19-
,20+,23-
,24+,26-
,27-
,28-
/m1/s1
InChIKey
KWAMDQVQFVBEAU-ZRCRZKIJSA-N
SMILES
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](C(=O)C=C3[C@]12C)c1ccoc1
Metabolite of Species
Details
Azadirachta indica
(NCBI:txid124943)
Found in seed
(BTO:0001226)
. Defatted MeOH extract of seeds 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
17-epiazadiradione (
CHEBI:67287
)
has role
plant metabolite (
CHEBI:76924
)
17-epiazadiradione (
CHEBI:67287
)
is a
acetate ester (
CHEBI:47622
)
17-epiazadiradione (
CHEBI:67287
)
is a
cyclic terpene ketone (
CHEBI:36130
)
17-epiazadiradione (
CHEBI:67287
)
is a
furans (
CHEBI:24129
)
17-epiazadiradione (
CHEBI:67287
)
is a
limonoid (
CHEBI:39434
)
17-epiazadiradione (
CHEBI:67287
)
is a
tetracyclic triterpenoid (
CHEBI:26893
)
Incoming
17-
epi
-17-hydroxyazadiradione (
CHEBI:67288
)
has functional parent
17-epiazadiradione (
CHEBI:67287
)
IUPAC Name
(5α,7α,13α,17β)-
17-
(furan-
3-
yl)-
4,4,8-
trimethyl-
3,16-
dioxoandrosta-
1,14-
dien-
7-
yl acetate
Registry Number
Type
Source
5858437
Reaxys Registry Number
Reaxys
Citation
Type
Source
21381696
PubMed citation
Europe PMC
Last Modified
09 January 2014