(+)-(20S)-20-(dimethylamino)-3alpha-(methylsenecioylamino)-5alpha-pregn-1+
AlkaPlorer ID: AK100659
Synonym: None
IUPAC Name: N-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3-dimethylbut-2-enamide
Structure
SMILES: CC(C)=CC(=O)N(C)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1
InChI: InChI=1S/C29H50N2O2/c1-18(2)15-27(33)31(8)21-13-14-28(4)20(16-21)9-10-22-24-12-11-23(19(3)30(6)7)29(24,5)26(32)17-25(22)28/h15,19-26,32H,9-14,16-17H2,1-8H3/t19-,20-,21+,22-,23+,24-,25-,26+,28-,29+/m0/s1
InChIKey: IJOMVKHDFSLVTI-LSUONCMQSA-N
Reference
Novel Bioactive Steroidal Alkaloids from Pachysandra procumbens
PubChem CID: 21631692
LOTUS: LTS0096161
SuperNatural Ⅲ: SN0147351-02
NPASS: NPC274310
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: 458.7310000000003
TPSA？: 43.78000000000001
MolLogP？: 5.359400000000006
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|