CHEBI:9107 - senecionine

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ChEBI Name senecionine
ChEBI ID CHEBI:9107
Definition A pyrrolizidine alkaloid isolated from the plant species of the genus Senecio.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H25NO5
Net Charge 0
Average Mass 335.39484
Monoisotopic Mass 335.173
InChI InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1
InChIKey HKODIGSRFALUTA-JTLQZVBZSA-N
SMILES [H]\C(C)=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@]([H])(OC1=O)[C@@]23[H]
Metabolite of Species Details
Senecio (NCBI:txid18794) 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 )
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ChEBI Ontology
Outgoing senecionine (CHEBI:9107) has functional parent senecionan (CHEBI:36330)
senecionine (CHEBI:9107) has role plant metabolite (CHEBI:76924)
senecionine (CHEBI:9107) is a lactone (CHEBI:25000)
senecionine (CHEBI:9107) is a pyrrolizidine alkaloid (CHEBI:64948)
senecionine (CHEBI:9107) is a tertiary alcohol (CHEBI:26878)
senecionine (CHEBI:9107) is conjugate base of senecionine(1+) (CHEBI:77617)
Incoming dehydrojacoline (CHEBI:136495) has functional parent senecionine (CHEBI:9107)
jacoline (CHEBI:136452) has functional parent senecionine (CHEBI:9107)
senecionine N-oxide (CHEBI:52070) has functional parent senecionine (CHEBI:9107)
senecionine(1+) (CHEBI:77617) is conjugate acid of senecionine (CHEBI:9107)
IUPAC Name
12-hydroxysenecionan-11,16-dione
Synonyms Sources
aureine ChemIDplus
Senecionin ChemIDplus
Senecionine KEGG COMPOUND
Manual Xrefs Databases
C00002116 KNApSAcK
C06176 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
130-01-8 CAS Registry Number KEGG COMPOUND
130-01-8 CAS Registry Number ChemIDplus
8162955 Beilstein Registry Number Beilstein
934445 Beilstein Registry Number Beilstein
94450 Reaxys Registry Number Reaxys
94450 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
15202562 PubMed citation Europe PMC
17260281 PubMed citation Europe PMC
21710732 PubMed citation Europe PMC
Last Modified
09 February 2018