None
AlkaPlorer ID: AK323913
Synonym: None
IUPAC Name: [(1S,2S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6(CC[C@@H](C)CN6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1
InChI: InChI=1S/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,27+,28+,29+/m1/s1
InChIKey: MCQNPWNREVNWDQ-RJDNYFEXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum umbelliferum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 455.68300000000033
TPSA？: 47.56
MolLogP？: 5.857700000000007
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 3.0 | ug ml-1 | 10.1021/np960125a |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 15.7 | ug ml-1 | 10.1021/np960125a |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 21.0 | ug ml-1 | 10.1021/np960125a |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 30.0 | ug ml-1 | 10.1021/np960125a |