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
1,2-Dihydrovomilenine KEGG COMPOUND
1,2-dihydrovomilenine UniProt
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 Waiting for Citations Type Source
11937349 PubMed citation Europe PMC
Last Modified
04 August 2014