UNPD87400
AlkaPlorer ID: AK418093
Synonym: None
IUPAC Name: 4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadecane-3,8-dione
Structure
SMILES: CC=C1CC(C)C(C)(O)C(=O)OCC2CC[N+]3([O-])CCC(OC1=O)C23
InChI: InChI=1S/C18H27NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3
InChIKey: IZXSCPRWPYQTJH-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from four Senecio species
PubChem CID: 163068274
LOTUS: LTS0257036
COCONUT: CNP0360035.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio bollei | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.4150000000001
TPSA？: 95.89
MolLogP？: 1.2853
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|