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(Q105174706)
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English
lobeline
group of stereoisomers
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No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
piperidine alkaloids
1 reference
inferred from
piperidine alkaloids
chemical structure
Lobeline.svg
1,814 × 665; 6 KB
0 references
mass
337.204179104
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₇NO₂
0 references
canonical SMILES
O=C(C=1C=CC=CC1)CC2N(C)C(CCC2)CC(O)C=3C=CC=CC3
0 references
found in taxon
Lobelia chinensis
2 references
stated in
Synthesen der Lobelia-Alkaloide
stated in
Piperidine and tetrahydropyridine alkaloids from Lobelia siphilitica and Hippobroma longiflora
Lobelia hassleri
2 references
stated in
Synthesen der Lobelia-Alkaloide
stated in
Piperidine and tetrahydropyridine alkaloids from Lobelia siphilitica and Hippobroma longiflora
Lobelia urens
2 references
stated in
Synthesen der Lobelia-Alkaloide
stated in
Piperidine and tetrahydropyridine alkaloids from Lobelia siphilitica and Hippobroma longiflora
Indian Tobacco
2 references
stated in
Synthesen der Lobelia-Alkaloide
stated in
Piperidine and tetrahydropyridine alkaloids from Lobelia siphilitica and Hippobroma longiflora
Lobelia siphilitica
1 reference
stated in
Synthesen der Lobelia-Alkaloide
Identifiers
InChI
InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
0 references
InChIKey
MXYUKLILVYORSK-UHFFFAOYSA-N
0 references
PubChem CID
3945
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
SureChEMBL ID
SCHEMBL290804
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MXYUKLILVYORSK-UHFFFAOYSA-N
UniChem compound ID
578642
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Washington_State_Univ-BML81620
1 reference
InChIKey
MXYUKLILVYORSK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML81622
1 reference
InChIKey
MXYUKLILVYORSK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID60859157
1 reference
matched by identifier from
InChIKey
InChIKey
MXYUKLILVYORSK-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0254137
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MXYUKLILVYORSK-UHFFFAOYSA-N
Probes And Drugs ID
PD062649
0 references
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