Rosmarinine
AlkaPlorer ID: AK012949
Synonym: '', 'Isorosmarinine', 'Rosmarinine', 'Senecionan-11,16-dione, 1,2-dihydro-2,12-dihydroxy-, (1alpha,2alpha)-'
IUPAC Name: (1R,4Z,6S,7R,11S,12S,17S)-4-ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
Structure
SMILES: C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H]3[C@@H](CCN3C[C@H]2O)OC1=O
InChI: InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4-/t10-,12-,13+,14+,15-,18+/m0/s1
InChIKey: YEXVXKIMPBHRQR-GVPQIDMFSA-N
Reference
The pyrrolizidine alkaloids of Senecio triangularis
PubChem CID: 162898839
LOTUS: LTS0218577
SuperNatural Ⅲ: SN0448537-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio triangularis | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.4150000000001
TPSA？: 96.3
MolLogP？: 0.2434999999999994
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|