3,20-Diaminopregnan-4-ol; (3α,4β,5α,20S)-form, N3,N20,N20-Tri-Me, O4-benzoyl
AlkaPlorer ID: AK295235
Synonym: Pachysanaximine A
IUPAC Name: [17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(methylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] benzoate
Structure
SMILES: CNC1CCC2(C)C3CCC4(C)C(CCC4C(C)N(C)C)C3CCC2C1OC(=O)C1=CC=CC=C1
InChI: InChI=1S/C31H48N2O2/c1-20(33(5)6)23-14-15-24-22-12-13-26-28(35-29(34)21-10-8-7-9-11-21)27(32-4)17-19-31(26,3)25(22)16-18-30(23,24)2/h7-11,20,22-28,32H,12-19H2,1-6H3
InChIKey: MVAYCIJKNIPEBX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachysandra axillaris | Pachysandra | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Sarcococca saligna | Sarcococca | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 480.73700000000025
TPSA？: 41.57
MolLogP？: 6.018900000000007
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|