CHEBI:16408 - vomilenine

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ChEBI Name vomilenine
ChEBI ID CHEBI:16408
Definition An indole alkaloid that is vinorine bearing a hydroxy substituent at position 21.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10021, CHEBI:15317, CHEBI:27312
Supplier Information
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Formula C21H22N2O3
Net Charge 0
Average Mass 350.41106
Monoisotopic Mass 350.16304
InChI InChI=1S/C21H22N2O3/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/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17?,19+,20+,21+/m0/s1
InChIKey BERYBAUEDCRDKM-FDHUPVAHSA-N
SMILES [H][C@@]12C[C@]3([H])N([C@H]4C[C@@]5([C@H](OC(C)=O)C14)c1ccccc1N=C35)[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 vomilenine (CHEBI:16408) has functional parent vinorine (CHEBI:16791)
vomilenine (CHEBI:16408) is a hemiaminal (CHEBI:73080)
vomilenine (CHEBI:16408) is a indole alkaloid (CHEBI:38958)
Incoming 1,2-dihydrovomilenine (CHEBI:17372) has functional parent vomilenine (CHEBI:16408)
raucaffricine (CHEBI:17400) has functional parent vomilenine (CHEBI:16408)
IUPAC Name
21α-hydroxy-22-norajmala-1,19-dien-17α-yl acetate
Synonyms Sources
Vomilenine KEGG COMPOUND
vomilenine UniProt
Manual Xrefs Databases
C00024322 KNApSAcK
C00024338 KNApSAcK
C01761 KEGG COMPOUND
US2007212745 Patent
View more database links
Registry Numbers Types Sources
53093 Reaxys Registry Number Reaxys
6880-50-8 CAS Registry Number KEGG COMPOUND
6985044 Reaxys Registry Number Reaxys
9588723 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10234858 PubMed citation Europe PMC
11937349 PubMed citation Europe PMC
18205139 PubMed citation Europe PMC
Last Modified
02 September 2015