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CHEBI:17372 - 1,2-dihydrovomilenine

ChEBI IDCHEBI:17372
ChEBI Name1,2-dihydrovomilenine
Stars
DefinitionAn indole alkaloid obtained by selective hydrogenation of the 1,2-position of vomilenine.
Secondary ChEBI IDsCHEBI:503, CHEBI:11155
Last Modified2 May 2024
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H][C@@]12Nc3ccccc3[C@]13C[C@H]1C([C@H]3OC(C)=O)[C@@]3([H])C[C@]2([H])N1[C@H](O)/C3=C/C
InChIInChI=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
InChIKeyDRMGJVPVCAJMDJ-OEJJZAABSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1,2-DihydrovomilenineKEGG COMPOUND
2-beta-(R)-1,2-DihydrovomilenineKEGG COMPOUND
UniProt Name  Source
(2R)-1,2-dihydrovomilenineUniProt
Manual XrefsDatabases
C11808KEGG COMPOUND
12-DIHYDROVOMILENINEMetaCyc
Registry NumbersSources
Reaxys:10721827Reaxys
Citations