Molecule

Solacapine

AlkaPlorer ID: AK046769

Synonym: '', 'Solacapine'

IUPAC Name: (2S,3S,5R)-2-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-amino-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpiperidin-3-ol

Structure

SMILES: C[C@H]1CN[C@@H]([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H](O)C1

InChI: InChI=1S/C27H48N2O2/c1-15-11-23(31)25(29-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(28)7-9-26(17,3)20(19)8-10-27(21,24)4/h15-25,29-31H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25+,26+,27+/m1/s1

InChIKey: SSDNUGHQUZHHEE-KVNUJFCLSA-N

Reference

Studies on Indian medicinal plants. Part 77. Structure and stereochemistry of some new steroidal alkaloids from Solanum pseudocapsicum and Solanum giganteum by nuclear magnetic resonance spectroscopy

PubChem CID: 14191824

LOTUS: LTS0133183

SuperNatural Ⅲ: SN0353868-05

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Solanum pseudocapsicum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 432.69300000000027

TPSA？: 78.51

MolLogP？: 3.9384000000000015

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi