Microcosamine A
AlkaPlorer ID: AK107239
Synonym: None
IUPAC Name: (2S,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-methylpiperidin-3-ol
Structure
SMILES: CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)N1
InChI: InChI=1S/C16H27NO/c1-3-4-5-6-7-8-9-10-11-15-12-13-16(18)14(2)17-15/h6-11,14-18H,3-5,12-13H2,1-2H3/b7-6+,9-8+,11-10+/t14-,15+,16+/m0/s1
InChIKey: LSCWHIBYDGDOLC-CCORAGHZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcos paniculata | Microcos | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 249.398
TPSA？: 32.26
MolLogP？: 3.3466000000000014
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Neuronal acetylcholine receptor; alpha3/beta4 | Inhibition | 53.0 | % | 10.1021/np3007414 |
| Homo sapiens | Neuronal acetylcholine receptor; alpha4/beta2 | Inhibition | 59.0 | % | 10.1021/np3007414 |