UNPD74997
AlkaPlorer ID: AK488584
Synonym: None
IUPAC Name: 4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-15-ene-3,8-dione
Structure
SMILES: C=C1CC(=CC)C(=O)OC2C=CN3CCC(COC(=O)C1(C)O)C23
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/h4,6,8,13-15,22H,2,5,7,9-10H2,1,3H3
InChIKey: PHMRVSMVJKXEEJ-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from Senecio longilobus and Senecio glabellus
PubChem CID: 163036025
LOTUS: LTS0022840
COCONUT: CNP0315696.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio flaccidus | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 333.38400000000007
TPSA？: 76.07
MolLogP？: 1.3163999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|