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:70508 - 16R,19E-isositsirikine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
16R,19E-isositsirikine
ChEBI ID
CHEBI:70508
Definition
A natural product found in
Alstonia spatulata
.
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C21H26N2O3
Net Charge
0
Average Mass
354.44270
Monoisotopic Mass
354.19434
InChI
InChI=1S/C21H26N2O3/c1-
3-
13-
11-
23-
9-
8-
15-
14-
6-
4-
5-
7-
18(14)
22-
20(15)
19(23)
10-
16(13)
17(12-
24)
21(25)
26-
2/h3-
7,16-
17,19,22,24H,8-
12H2,1-
2H3/b13-
3-
/t16-
,17-
,19-
/m0/s1
InChIKey
RGXKJLTVROJBKZ-LZNZQLKFSA-N
SMILES
[H][C@@]1(C[C@]2([H])N(CCc3c2[nH]c2ccccc32)C\C1=C\C)[C@H](CO)C(=O)OC
Metabolite of Species
Details
Alstonia
sp.
tulata
(IPNI:76595-1)
Found in leaf
(BTO:0000713)
. Extraction of leaves with concentrated EtOH with dilute acids See:
PubMed
Roles Classification
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
16R,19E-isositsirikine (
CHEBI:70508
)
has role
metabolite (
CHEBI:25212
)
16R,19E-isositsirikine (
CHEBI:70508
)
is a
alkaloid (
CHEBI:22315
)
Synonym
Source
Corynan-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester,(16R,19E)-
ChEBI
Manual Xref
Database
4941438
ChemSpider
View more database links
Citation
Type
Source
21043460
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:beta-carbolines(CHEBI:60834); ISA:quinolizines(CHEBI:38063); ISA:indoles(CHEBI:24828); ISA:aralkylamine(CHEBI:18000); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:piperidines(CHEBI:26151); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:pyrroles(CHEBI:26455); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);