Stemaphylline
AlkaPlorer ID: AK088566
Synonym: None
IUPAC Name: (3R,5S)-5-[(2R)-2-[(9R,9aS)-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepin-9-yl]propyl]-3-methyloxolan-2-one
Structure
SMILES: C[C@@H]1C[C@H](C[C@@H](C)[C@H]2CCCCN3CCC[C@@H]23)OC1=O
InChI: InChI=1S/C17H29NO2/c1-12(10-14-11-13(2)17(19)20-14)15-6-3-4-8-18-9-5-7-16(15)18/h12-16H,3-11H2,1-2H3/t12-,13-,14+,15-,16+/m1/s1
InChIKey: MQYIKLXMSSMGLX-LJIZCISZSA-N
Reference
Alkaloids from the Roots of <i>Stemona aphylla</i>
PubChem CID: 44139893
LOTUS: LTS0275146
SuperNatural Ⅲ: SN0233026-01
NPASS: NPC216090
Source
Properties Information
Molecule Weight: 279.424
TPSA？: 29.54
MolLogP？: 3.2287000000000017
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MFC | 125.0 | ug ml-1 | 10.1021/np900030y |
| Candida albicans | Candida albicans | MIC | 125.0 | ug.mL-1 | 10.1021/np900030y |
| Escherichia coli | Escherichia coli | MBC | 125.0 | ug ml-1 | 10.1021/np900030y |
| Escherichia coli | Escherichia coli | MIC | 62.5 | ug.mL-1 | 10.1021/np900030y |
| Homo sapiens | Acetylcholinesterase | Activity | 0.18 | nmol | 10.1021/np900030y |
| Plutella xylostella | Plutella xylostella | LC50 | 1824.0 | ug.mL-1 | 10.1021/np900030y |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MBC | 125.0 | ug ml-1 | 10.1021/np900030y |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 62.5 | ug.mL-1 | 10.1021/np900030y |
| Staphylococcus aureus | Staphylococcus aureus | MBC | 250.0 | ug ml-1 | 10.1021/np900030y |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 125.0 | ug.mL-1 | 10.1021/np900030y |