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:132186 - celacinnine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
celacinnine
ChEBI ID
CHEBI:132186
Definition
A spermidine alkaloid that is isolated from
Maytenus heterophylla
and
Maytenus senegalensis
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
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
C25H31N3O2
Net Charge
0
Average Mass
405.533
Monoisotopic Mass
405.24163
InChI
InChI=1S/C25H31N3O2/c29-
24-
20-
23(22-
12-
5-
2-
6-
13-
22)
26-
16-
7-
8-
18-
28(19-
9-
17-
27-
24)
25(30)
15-
14-
21-
10-
3-
1-
4-
11-
21/h1-
6,10-
15,23,26H,7-
9,16-
20H2,(H,27,29)
/b15-
14+/t23-
/m0/s1
InChIKey
OROFOUPCOTVAJQ-NSFRLNINSA-N
SMILES
C1C(NCCCN(CCCCN[C@@H]1C=2C=CC=CC2)C(/C=C/C=3C=CC=CC3)=O)=O
Metabolite of Species
Details
Maytenus senegalensis
(NCBI:txid256095)
See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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
celacinnine (
CHEBI:132186
)
has role
plant metabolite (
CHEBI:76924
)
celacinnine (
CHEBI:132186
)
is a
enamide (
CHEBI:51751
)
celacinnine (
CHEBI:132186
)
is a
lactam (
CHEBI:24995
)
celacinnine (
CHEBI:132186
)
is a
secondary carboxamide (
CHEBI:140325
)
celacinnine (
CHEBI:132186
)
is a
spermidine alkaloid (
CHEBI:38524
)
celacinnine (
CHEBI:132186
)
is a
tertiary carboxamide (
CHEBI:140326
)
IUPAC Name
(2
S
)-2-phenyl-9-[(2
E
)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one
Synonyms
Sources
(−)-celacinnine
ChEBI
(
S
)-(−)-celacinnine
ChEBI
(
S
)-celacinnine
ChEBI
Registry Numbers
Types
Sources
4720682
Reaxys Registry Number
Reaxys
53938-05-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22470236
PubMed citation
Europe PMC
26487315
PubMed citation
Europe PMC
6452921
PubMed citation
SUBMITTER
Last Modified
07 March 2018