6Beta-Hydroxystemofoline
AlkaPlorer ID: AK037956
Synonym: None
IUPAC Name: 2-[(1S,4S,5R,6S,8R,9R,12S,13S)-9-butyl-12-hydroxy-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-yl]-3-methoxy-4-methyl-2H-furan-5-one
Structure
SMILES: CCCC[C@]12[C@H]3C[C@H]4[C@H]5[C@H](C)C(C6OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1[C@H](O)CN42
InChI: InChI=1S/C22H31NO6/c1-5-6-7-21-14-8-12-15-10(2)17(18-16(26-4)11(3)20(25)27-18)29-22(15,28-14)19(21)13(24)9-23(12)21/h10,12-15,17-19,24H,5-9H2,1-4H3/t10-,12-,13+,14+,15+,17?,18?,19+,21-,22-/m0/s1
InChIKey: UYJQMJHUNWUKTG-YLMSMMQMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona japonica | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.49100000000016
TPSA？: 77.46000000000001
MolLogP？: 1.5859999999999996
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Heliothis virescens | Nicotinic acetylcholine receptor alpha1 subunit | EC50 | 157.0 | nM | 10.1021/np070427k |
| Myzus persicae | Myzus persicae | Activity | nan | None | 10.1021/np070427k |
| Spodoptera frugiperda | Spodoptera frugiperda | Activity | nan | None | 10.1021/np070427k |