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ChEBI
> Main
CHEBI:136405 - spartioidine
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ChEBI Ontology
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ChEBI Name
spartioidine
ChEBI ID
CHEBI:136405
Definition
A pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12 and two oxo substituents at positions 11 and 16.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H23NO5
Net Charge
0
Average Mass
333.380
Monoisotopic Mass
333.15762
InChI
InChI=1S/C18H23NO5/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-
5,14-
15,22H,2,6-
10H2,1,3H3/b12-
4+/t14-
,15-
,18-
/m1/s1
InChIKey
FCEVNJIUIMLVML-ARDNGTNNSA-N
SMILES
[C@@]12(N3CC[C@H]1OC(/C(/CC(=C)[C@@](C(OCC2=CC3)=O)(C)O)=C/C)=O)[H]
Metabolite of Species
Details
Adenostyles alliariae
(NCBI:txid1346275)
See:
PubMed
Adenostyles glabra
(NCBI:txid1395540)
See:
PubMed
Jacobaea aquatica
(NCBI:txid189230)
See:
PubMed
Jacobaea
(NCBI:txid405757)
Found in leaf
(BTO:0000713)
. See:
MetaboLights Study
Jacobaea
(NCBI:txid405757)
Found in leaf
(BTO:0000713)
. See:
DOI
Senecio vulgaris
(NCBI:txid76276)
See:
PubMed
Senecio pterophorus
(NCBI:txid82364)
See:
DOI
Roles Classification
Biological Role
(s):
Jacobaea metabolite
Any plant metabolite that is produced by the genus
Jacobaea
.
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
spartioidine (
CHEBI:136405
)
has role
Jacobaea
metabolite (
CHEBI:139566
)
spartioidine (
CHEBI:136405
)
is a
macrocyclic lactone (
CHEBI:63944
)
spartioidine (
CHEBI:136405
)
is a
olefinic compound (
CHEBI:78840
)
spartioidine (
CHEBI:136405
)
is a
pyrrolizine alkaloid (
CHEBI:38521
)
spartioidine (
CHEBI:136405
)
is a
tertiary alcohol (
CHEBI:26878
)
Incoming
spartioidine
N
-oxide (
CHEBI:136427
)
has functional parent
spartioidine (
CHEBI:136405
)
IUPAC Name
(15
E
)-12-hydroxy-13,19-didehydrosenecionan-11,16-dione
Manual Xref
Database
C00026229
KNApSAcK
View more database links
Registry Numbers
Types
Sources
520-59-2
CAS Registry Number
ChemIDplus
6575655
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11978435
PubMed citation
Europe PMC
17265238
PubMed citation
Europe PMC
26411004
PubMed citation
Europe PMC
Last Modified
02 February 2018