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CHEBI:17372 - 1,2-dihydrovomilenine
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ChEBI Name
1,2-dihydrovomilenine
ChEBI ID
CHEBI:17372
Definition
An indole alkaloid obtained by selective hydrogenation of the 1,2-position of vomilenine.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11155, CHEBI:503
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Formula
C21H24N2O3
Net Charge
0
Average Mass
352.42694
Monoisotopic Mass
352.17869
InChI
InChI=1S/C21H24N2O3/c1-
3-
11-
12-
8-
15-
18-
21(13-
6-
4-
5-
7-
14(13)
22-
18)
9-
16(23(15)
20(11)
25)
17(12)
19(21)
26-
10(2)
24/h3-
7,12,15-
20,22,25H,8-
9H2,1-
2H3/b11-
3+/t12-
,15-
,16-
,17?,18-
,19+,20+,21+/m0/s1
InChIKey
DRMGJVPVCAJMDJ-OEJJZAABSA-N
SMILES
[H][C@@]12C[C@]3([H])N([C@H]4C[C@@]5([C@H](OC(C)=O)C14)c1ccccc1N[C@@]35[H])[C@H](O)\C2=C\C
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):
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
1,2-dihydrovomilenine (
CHEBI:17372
)
has functional parent
vomilenine (
CHEBI:16408
)
1,2-dihydrovomilenine (
CHEBI:17372
)
is a
hemiaminal (
CHEBI:73080
)
1,2-dihydrovomilenine (
CHEBI:17372
)
is a
indole alkaloid (
CHEBI:38958
)
IUPAC Name
21α-hydroxy-22-norajmal-19-en-17α-yl acetate
Synonyms
Sources
(2
R
)-1,2-dihydrovomilenine
UniProt
1,2-Dihydrovomilenine
KEGG COMPOUND
2-beta-(R)-1,2-Dihydrovomilenine
KEGG COMPOUND
Manual Xref
Database
C11808
KEGG COMPOUND
View more database links
Registry Number
Type
Source
10721827
Reaxys Registry Number
Reaxys
Citation
Type
Source
11937349
PubMed citation
Europe PMC
Last Modified
17 April 2024