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
Supplier Information
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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 (Bronsted 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
(2R)-1,2-dihydrovomilenine UniProt
1,2-Dihydrovomilenine KEGG COMPOUND
2-beta-(R)-1,2-Dihydrovomilenine KEGG COMPOUND
Manual Xref Database
C11808 KEGG COMPOUND
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Registry Number Type Source
10721827 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11937349 PubMed citation Europe PMC
Last Modified
17 April 2024