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CHEBI:70268 - cabralealactone
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ChEBI Ontology
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ChEBI Name
cabralealactone
ChEBI ID
CHEBI:70268
Definition
A tetracyclic triterpenoid isolated from the stems of
Aglaia abbreviata
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H42O3
Net Charge
0
Average Mass
414.62060
Monoisotopic Mass
414.31340
InChI
InChI=1S/C27H42O3/c1-
23(2)
19-
10-
15-
26(5)
20(24(19,3)
13-
11-
21(23)
28)
8-
7-
17-
18(9-
14-
25(17,26)
4)
27(6)
16-
12-
22(29)
30-
27/h17-
20H,7-
16H2,1-
6H3/t17-
,18+,19+,20-
,24+,25-
,26-
,27+/m1/s1
InChIKey
NOLGXQBEFHYZHI-QPBHWVAKSA-N
SMILES
C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Metabolite of Species
Details
Aglaia abbreviata
(IPNI:576946-1)
Found in stem
(BTO:0001300)
. 95% ethanolic extract of air-dried stems 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
cabralealactone (
CHEBI:70268
)
has role
plant metabolite (
CHEBI:76924
)
cabralealactone (
CHEBI:70268
)
is a
γ-lactone (
CHEBI:37581
)
cabralealactone (
CHEBI:70268
)
is a
cyclic terpene ketone (
CHEBI:36130
)
cabralealactone (
CHEBI:70268
)
is a
tetracyclic triterpenoid (
CHEBI:26893
)
IUPAC Name
(5α)-4,4,8,14-tetramethyl-20,24-epoxy-18-norcholane-3,24-dione
Synonym
Source
(20
S
)-23,24-epoxy-25,26,27-trinordammarane-3,24-dione
ChEBI
Registry Number
Type
Source
95091
Reaxys Registry Number
Reaxys
Citation
Type
Source
21087017
PubMed citation
Europe PMC
Last Modified
01 June 2015