1',2'-didehydrostemofoline
AlkaPlorer ID: AK021018
Synonym: '', "Stemofoline; 1',2'-Didehydro(E-)", 'Aspargamine A', 'Didehydrostemofoline', '16,17-Dihydro-4(E)-16(E)-stemofoline'
IUPAC Name: (5Z)-5-[(1S,4S,5R,6S,8S,9S,13R)-9-[(E)-but-1-enyl]-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: CC/C=C/[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42
InChI: InChI=1S/C22H27NO5/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/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14+,15-,16+,21-,22+/m0/s1
InChIKey: XNUWGEPKIOWLHQ-KQYNXQAPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona curtisii | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 385.46000000000015
TPSA？: 57.23000000000001
MolLogP？: 2.865600000000001
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | MIC | 5.0 | ng | 10.1021/np100668s |
| Spodoptera littoralis | Spodoptera littoralis | LC50 | 0.46 | ppm | 10.1021/jf0205615 |
| Spodoptera littoralis | Spodoptera littoralis | LC50 | 0.84 | ppm | 10.1021/jf0205615 |
| Spodoptera littoralis | Spodoptera littoralis | LC50 | 1.01 | microg/dm2 | 10.1021/jf0205615 |