Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:17384 - 17-
O
-acetylnorajmaline
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
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 (Br
o
nsted 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,17
R
,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
View more database links
Citation
Type
Source
12391554
PubMed citation
Europe PMC
Last Modified
18 August 2017