Senecivernine
AlkaPlorer ID: AK313331
Synonym: 12-Hydroxy-14-methyl-21-norsenecionan-11,16-dione
IUPAC Name: 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)OC2CCN3CC=C(COC(=O)C(C)(O)C(C)C1C)C23
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
InChIKey: FLUOSFVUPTUYEX-UHFFFAOYSA-N
Reference
Pyrrolizidinalkaloide aus Senecio vernalis
PubChem CID: 153499
CAS: 72755-25-0
LOTUS: LTS0136277
COCONUT: CNP0174793.5
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 |
|---|