Senecionine; 15E-Isomer
AlkaPlorer ID: AK313319
Synonym: Integerrimine, Squalidine, Alkaloid SD
IUPAC Name: 4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Structure
SMILES: CC=C1CC(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23
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
InChIKey: HKODIGSRFALUTA-UHFFFAOYSA-N
Reference
Alkaloids of Senecio erraticus
PubChem CID: 254855
CAS: 130-01-8
LOTUS: LTS0157762
COCONUT: CNP0202525.18
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria incana | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Cacalia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.40000000000003
TPSA？: 76.07
MolLogP？: 1.1928
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|