Demissidine
AlkaPlorer ID: AK066372
Synonym: 'Dihydrosolanidine'
IUPAC Name: (1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-ol
Structure
SMILES: C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1
InChI: InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
InChIKey: JALVTHFTYRPDMB-HRRTYWNUSA-N
Reference
Über Demissin, ein Alkaloidglykosid aus den Blättern von Solanum demissum
PubChem CID: 101379
CAS: 474-08-8
LOTUS: LTS0152413
SuperNatural Ⅲ: SN0160198-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum tuberosum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 399.6630000000002
TPSA？: 23.47
MolLogP？: 5.734900000000007
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 5.43 | % | 10.1016/j.bmc.2012.09.040 |
| Equus caballus | Cholinesterase | Inhibition | 41.89 | % | 10.1016/j.bmc.2012.09.040 |