Phyto4Health

Solasodine

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL514596
PubChem: 44584207
IUPAC: (1S,2S,4S,5'R,6S,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
Standard 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
Standard InChI Key: KWVISVAMQJWJSZ-MEPOCMDBSA-N
SMILES: C[C@@H]1CC[C@]2(NC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C

Molecular propeties

AlogP: 5.29
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 6
Molecular Weight: 413.33
Topological polar surface area: 41.5
Number of aromatic rings: 0
Fsp3: 0.926
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
ShootSolanum dulcamara
ShootSolanum dulcamara

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.