Solasodine
AlkaPlorer ID: AK000156
Synonym: '', 'Solasod 5-ene 3?-ol', 'Solasodine', 'Solancarpidine', 'Purapuridine', 'Tomatidenol'
IUPAC Name: (2S,4S,5'R,6R,7S,9S,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: C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]3(C)C1[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-/m1/s1
InChIKey: KWVISVAMQJWJSZ-SNCAVQOYSA-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 |
|---|