Spiropachysine
AlkaPlorer ID: AK006692
Synonym: ''
IUPAC Name: (3R,5R,8R,9S,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-XANVTQNNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Liabum floribundum | Liabum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Bufo gargarizans | Bufo | Bufonidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
| Penstemon serrulatus | Penstemon | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
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 |
|---|