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ChEBI
> Main
CHEBI:142059 - retuline
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ChEBI Ontology
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ChEBI Name
retuline
ChEBI ID
CHEBI:142059
Definition
A monoterpenoid indole alkaloid with formula C
21
H
26
N
2
O
2
, isolated from several species of
Strychnos
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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Formula
C21H26N2O2
Net Charge
0
Average Mass
338.444
Monoisotopic Mass
338.19943
InChI
InChI=1S/C21H26N2O2/c1-
3-
14-
11-
22-
9-
8-
21-
17-
6-
4-
5-
7-
18(17)
23(13(2)
25)
20(21)
16(12-
24)
15(14)
10-
19(21)
22/h3-
7,15-
16,19-
20,24H,8-
12H2,1-
2H3/b14-
3-
/t15-
,16-
,19-
,20-
,21+/m0/s1
InChIKey
IJTKEUDLEABZCZ-SEACFGBCSA-N
SMILES
OC[C@@H]1[C@@]2(N(C=3C([C@@]42[C@H]5N(CC4)C\C(\[C@@]1(C5)[H])=C\C)=CC=CC3)C(C)=O)[H]
Metabolite of Species
Details
Strychnos henningsii
(NCBI:txid1040887)
Found in bark
(BTO:0001301)
. See:
PubMed
Strychnos holstii
(NCBI:txid547236-1)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
retuline (
CHEBI:142059
)
has role
plant metabolite (
CHEBI:76924
)
retuline (
CHEBI:142059
)
is a
acetamides (
CHEBI:22160
)
retuline (
CHEBI:142059
)
is a
monoterpenoid indole alkaloid (
CHEBI:65323
)
retuline (
CHEBI:142059
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
retuline (
CHEBI:142059
)
is a
primary alcohol (
CHEBI:15734
)
retuline (
CHEBI:142059
)
is a
tertiary amino compound (
CHEBI:50996
)
IUPAC Name
1-[(15β,16α,19
E
)-17-hydroxycur-19-en-1-yl]ethanone
Registry Numbers
Types
Sources
2616-16-2
CAS Registry Number
ChemIDplus
52683
Reaxys Registry Number
Reaxys
Citations
Types
Sources
1795530
PubMed citation
Europe PMC
5843279
PubMed citation
Europe PMC
5884091
PubMed citation
Europe PMC
5917457
PubMed citation
Europe PMC
Last Modified
11 September 2018