Stemofoline
AlkaPlorer ID: AK023985
Synonym: None
IUPAC Name: (5Z)-5-[(1S,4S,5R,6S,8R,9S)-9-butyl-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
Structure
SMILES: CCCC[C@@]12C3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12
InChI: InChI=1S/C22H29NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h11,13-16H,5-10H2,1-4H3/b19-18-/t11-,13-,14?,15+,16+,21-,22+/m0/s1
InChIKey: DTVYAHOULQCSMS-JQANZLKUSA-N
Source
Properties Information
Molecule Weight: 387.47600000000017
TPSA？: 57.23
MolLogP？: 3.0896000000000017
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia | Artemia | LC50 | 33.0 | ppm | 10.1021/np049791z |
| Cladosporium cladosporioides | Cladosporium cladosporioides | EC50 | 219.0 | ppm | 10.1021/np049791z |
| Heliothis virescens | Nicotinic acetylcholine receptor alpha1 subunit | EC50 | 50.0 | nM | 10.1021/np070427k |
| Homo sapiens | Acetylcholinesterase | MIC | 10.0 | ng | 10.1021/np100668s |
| Myzus persicae | Myzus persicae | Activity | nan | None | 10.1021/np070427k |
| Spodoptera frugiperda | Spodoptera frugiperda | Activity | nan | None | 10.1021/np070427k |
| Spodoptera littoralis | Spodoptera littoralis | LC50 | 0.59 | microg/dm2 | 10.1021/jf0205615 |
| Spodoptera littoralis | Spodoptera littoralis | LC50 | 1.46 | ppm | 10.1021/jf0205615 |
| Spodoptera littoralis | Spodoptera littoralis | LC50 | 2.04 | ppm | 10.1021/jf0205615 |