Senecivernine
AlkaPlorer ID: AK013493
Synonym: '', 'Senecivernine', '21-Norsenecionan-11,16-dione, 12-hydroxy-14-methyl-, (12zeta,13zeta)-'
IUPAC Name: (1S,5R,6S,7S,17S)-7-hydroxy-5,6,7-trimethyl-4-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Structure
SMILES: C=C1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@H](C)[C@H]1C)[C@@H]23
InChI: InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12-,14-,15-,18-/m0/s1
InChIKey: FLUOSFVUPTUYEX-PNCZCTRVSA-N
Reference
Pyrrolizidinalkaloide aus Senecio vernalis
PubChem CID: 162906387
LOTUS: LTS0227819
SuperNatural Ⅲ: SN0089153-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio vernalis | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.40000000000003
TPSA？: 76.07
MolLogP？: 1.0486999999999995
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|