17-O-acetylnorajmaline (CHEBI:17384)

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CHEBI:17384 - 17-O-acetylnorajmaline

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ChEBI ID	CHEBI:17384
ChEBI Name	17-O-acetylnorajmaline
Stars
ASCII Name	17-O-acetylnorajmaline
Definition	An indole alkaloid obtained by formal acetylation of the 17-hydroxy group of norajmaline.
Secondary ChEBI IDs	CHEBI:780, CHEBI:11335, CHEBI:29465
Last Modified	18 August 2017
Downloads	Molfile

Formula	C21H26N2O3
Net Charge	0
Average Mass	354.450
Monoisotopic Mass	354.19434
SMILES	[H][C@@]12Nc3ccccc3[C@]13C[C@H]1C([C@H]4C[C@]2([H])N1[C@H](O)[C@H]4CC)[C@H]3OC(C)=O
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

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)
	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 Relation(s)
Incoming Relation(s)	17-O-acetylnorajmaline(1+) (CHEBI:77725) is conjugate acid of 17-O-acetylnorajmaline (CHEBI:17384)

IUPAC Names
21α-hydroxy-22-norajmalan-17α-yl acetate
(2β,7β,16ξ,17R,20β,21α)-21-hydroxy-2,7,19,20-tetrahydro-7,17-cyclosarpagan-17-yl acetate

Synonym	Source
17-O-Acetylnorajmaline	KEGG COMPOUND

Manual Xrefs	Databases
C11809	KEGG COMPOUND
17-O-ACETYLNORAJMALINE	MetaCyc

Citations