CHEBI:17384 - 17-O-acetylnorajmaline

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ChEBI Name 17-O-acetylnorajmaline
ChEBI ID CHEBI:17384
ChEBI ASCII Name 17-O-acetylnorajmaline
Definition An indole alkaloid obtained by formal acetylation of the 17-hydroxy group of norajmaline.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11335, CHEBI:29465, CHEBI:780
Supplier Information
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Formula C21H26N2O3
Net Charge 0
Average Mass 354.44282
Monoisotopic Mass 354.19434
InChI InChI=1S/C21H26N2O3/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/h4-7,11-12,15-20,22,25H,3,8-9H2,1-2H3/t11-,12-,15-,16-,17?,18-,19+,20+,21+/m0/s1
InChIKey VAOXSMUPPRUEKF-VFHMDEBLSA-N
SMILES [H][C@@]12C[C@H]3[C@H](CC)[C@@H](O)N1[C@H]1C[C@@]4([C@H](OC(C)=O)C31)c1ccccc1N[C@@]24[H]
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 17-O-acetylnorajmaline (CHEBI:17384) has functional parent norajmaline (CHEBI:7621)
17-O-acetylnorajmaline (CHEBI:17384) is a acetate ester (CHEBI:47622)
17-O-acetylnorajmaline (CHEBI:17384) is a bridged compound (CHEBI:35990)
17-O-acetylnorajmaline (CHEBI:17384) is a hemiaminal (CHEBI:73080)
17-O-acetylnorajmaline (CHEBI:17384) is a indole alkaloid (CHEBI:38958)
17-O-acetylnorajmaline (CHEBI:17384) is a organic heteropolycyclic compound (CHEBI:38166)
17-O-acetylnorajmaline (CHEBI:17384) is a organonitrogen heterocyclic compound (CHEBI:38101)
17-O-acetylnorajmaline (CHEBI:17384) is a secondary alcohol (CHEBI:35681)
17-O-acetylnorajmaline (CHEBI:17384) is a secondary amino compound (CHEBI:50995)
17-O-acetylnorajmaline (CHEBI:17384) is a tertiary amino compound (CHEBI:50996)
17-O-acetylnorajmaline (CHEBI:17384) is conjugate base of 17-O-acetylnorajmaline(1+) (CHEBI:77725)
Incoming 17-O-acetylnorajmaline(1+) (CHEBI:77725) is conjugate acid of 17-O-acetylnorajmaline (CHEBI:17384)
IUPAC Names
(2β,7β,16ξ,17R,20β,21α)-21-hydroxy-2,7,19,20-tetrahydro-7,17-cyclosarpagan-17-yl acetate
21α-hydroxy-22-norajmalan-17α-yl acetate
Synonym Source
17-O-Acetylnorajmaline KEGG COMPOUND
Manual Xrefs Databases
17-O-ACETYLNORAJMALINE MetaCyc
C11809 KEGG COMPOUND
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Citation Waiting for Citations Type Source
12391554 PubMed citation Europe PMC
Last Modified
18 August 2017