UNPD74997
AlkaPlorer ID: AK267538
Synonym: None
IUPAC Name: (1R,4Z,7S,11R,17R)-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=C1C/C(=C/C)C(=O)O[C@@H]2C=CN3CC[C@@H](COC(=O)[C@@]1(C)O)[C@H]23
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/b12-4-/t13-,14+,15+,18-/m0/s1
InChIKey: PHMRVSMVJKXEEJ-JYIVDZHWSA-N
Reference
Pyrrolizidine alkaloids from Senecio longilobus and Senecio glabellus
PubChem CID: 163036026
LOTUS: LTS0110555
SuperNatural Ⅲ: SN0285557-01
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 |
|---|