Senkirkine
AlkaPlorer ID: AK004350
Synonym: '', 'Renardine', 'Senkirkine', 'Neosenkirkine'
IUPAC Name: (1R,4Z,6R,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
Structure
SMILES: C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O
InChI: InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1
InChIKey: HPDHKHMHQGCNPE-QLJRNOHWSA-N
Reference
Pyrrolizidine Alkaloids — Petasites Species
PubChem CID: 5281752
LOTUS: LTS0193348
SuperNatural Ⅲ: SN0131674-14
NPASS: NPC195435
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petasites japonicus | Petasites | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 365.42600000000016
TPSA？: 93.14
MolLogP？: 1.0094999999999998
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A204 | IC50 | 221.0 | ug.mL-1 | 10.1021/np50058a005 |