Solasodine
AlkaPlorer ID: AK000161
Synonym: '', 'Solasod 5-ene 3?-ol', 'Solasodine', 'Solancarpidine', 'Purapuridine', 'Tomatidenol'
IUPAC Name: (1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol
Structure
SMILES: CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
InChI: InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey: KWVISVAMQJWJSZ-DXZIWIJNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum nigrum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 413.6460000000003
TPSA？: 41.49
MolLogP？: 5.2869000000000055
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase | Ki | 100000.0 | nM | 10.1021/jm049073+ |
| Homo sapiens | Sigma opioid receptor | Ki | 207.0 | nM | 10.1021/jm049073+ |
| Saccharomyces cerevisiae S288c | C-8 sterol isomerase | Ki | 1170.0 | nM | 10.1021/jm049073+ |