Axillarine E
AlkaPlorer ID: AK000862
Synonym: None
IUPAC Name: [(2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-amino-17-[(1S)-1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] benzoate
Structure
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@@H]([C@@H]4OC(=O)C5=CC=CC=C5)N)O)C)C)N(C)C
InChI: InChI=1S/C30H46N2O3/c1-18(32(4)5)21-13-14-22-20-11-12-24-27(35-28(34)19-9-7-6-8-10-19)26(31)25(33)17-30(24,3)23(20)15-16-29(21,22)2/h6-10,18,20-27,33H,11-17,31H2,1-5H3/t18-,20-,21+,22-,23-,24-,25-,26-,27+,29+,30+/m0/s1
InChIKey: MGUIYUXFFGFOIJ-SNUHIUSGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachysandra axillaris | Pachysandra | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 482.70900000000023
TPSA？: 75.78999999999999
MolLogP？: 4.729000000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|