Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 2'',3''-Dideoxy, 2'',3''-didehydro (Z-)
AlkaPlorer ID: AK312373
Synonym: Retronecine 9-sarracinate 7-senecioate
IUPAC Name: [7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(hydroxymethyl)but-2-enoate
Structure
SMILES: CC=C(CO)C(=O)OCC1=CCN2CCC(OC(=O)C=C(C)C)C12
InChI: InChI=1S/C18H25NO5/c1-4-13(10-20)18(22)23-11-14-5-7-19-8-6-15(17(14)19)24-16(21)9-12(2)3/h4-5,9,15,17,20H,6-8,10-11H2,1-3H3
InChIKey: MMQLVYYYZSPCSB-UHFFFAOYSA-N
Reference
Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species
PubChem CID: 162912232
LOTUS: LTS0124414
COCONUT: CNP0181190.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio triangularis | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.40000000000003
TPSA？: 76.07
MolLogP？: 1.3604999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|