16-Hydroxystemofoline
AlkaPlorer ID: AK023646
Synonym: None
IUPAC Name: 2-[(1S,4S,5R,6S,8S,9R,13R)-9-butyl-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-yl]-4-(hydroxymethyl)-3-methoxy-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(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42
InChI: InChI=1S/C22H31NO6/c1-4-5-7-21-14-6-8-23(21)13-9-15(21)28-22(14)16(13)11(2)17(29-22)19-18(26-3)12(10-24)20(25)27-19/h11,13-17,19,24H,4-10H2,1-3H3/t11-,13-,14+,15-,16+,17?,19?,21+,22+/m0/s1
InChIKey: JKKBPOIOBQBDAG-PLLHREKUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona japonica | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.4910000000002
TPSA？: 77.46000000000001
MolLogP？: 1.5876
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 | 12.0 | nM | 10.1021/np070427k |