Molecule

Spiropachysine

AlkaPlorer ID: AK006689

Synonym: ''

IUPAC Name: (3R,5S,8S,9R,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one

Structure

SMILES: C[C@@H]([C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@@H]3CC[C@]12C)C1=CC=CC=C1C(=O)N5C)N(C)C

InChI: InChI=1S/C31H46N2O/c1-20(32(4)5)24-13-14-25-22-12-11-21-19-31(27-10-8-7-9-23(27)28(34)33(31)6)18-17-29(21,2)26(22)15-16-30(24,25)3/h7-10,20-22,24-26H,11-19H2,1-6H3/t20-,21-,22+,24+,25-,26+,29-,30+,31+/m0/s1

InChIKey: SLGWGPQWJRVPAD-OBXXFQLLSA-N

Reference

Isospiropachysine, a steroidal alkaloid from Pachysandra axillaris

PubChem CID: 162990670

LOTUS: LTS0235970

SuperNatural Ⅲ: SN0348639-11

NPASS: NPC268209

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lenormandia smithiae	Lenormandia	Rhodomelaceae	Ceramiales	Florideophyceae	Rhodophyta	None	Eukaryota
Sarcandra hainanensis	Sarcandra	Chloranthaceae	Chloranthales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mahurea palustris	Mahurea	Calophyllaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lecanora frustulosa	Lecanora	Lecanoraceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Cosmospora butyri	Cosmospora	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Streptomyces griseoviridis	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 462.7220000000002

TPSA？: 23.550000000000004

MolLogP？: 6.576500000000008

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi