Molecule

20-Isosolafloridine

AlkaPlorer ID: AK043033

Synonym: '', 'Solafloridine'

IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(3R)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

Structure

SMILES: C[C@@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1

InChI: InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,24-25,29-30H,5-15H2,1-4H3/t16-,17-,18+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1

InChIKey: HFOSABNORYNULM-MYRDXNBBSA-N

Reference

Steroidal glycosides from the fruits of Solanum abutiloides

PubChem CID: 12442858

LOTUS: LTS0109029

SuperNatural Ⅲ: SN0124265-04

NPASS: NPC142426

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Carassius auratus	Carassius	Cyprinidae	Cypriniformes	Actinopteri	Chordata	Metazoa	Eukaryota
Solanum umbellatum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Climacodon septentrionalis	Climacodon	Meruliaceae	Polyporales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Ardisia sieboldii	Ardisia	Primulaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hymenocallis rotata	Hymenocallis	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 415.66200000000026

TPSA？: 52.82

MolLogP？: 5.484000000000006

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi