Paxillarine A
AlkaPlorer ID: AK040542
Synonym: ''
IUPAC Name: [(3R,4R,5R,8R,9S,10R,13R,14S,16S,17S)-3-[benzoyl(methyl)amino]-17-[(1S)-1-(dimethylamino)ethyl]-16-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] acetate
Structure
SMILES: CC(=O)O[C@H]1[C@H](N(C)C(=O)C2=CC=CC=C2)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@H]4[C@@H]3CC[C@@H]12
InChI: InChI=1S/C33H50N2O4/c1-20(34(5)6)29-28(37)19-26-23-13-14-25-30(39-21(2)36)27(35(7)31(38)22-11-9-8-10-12-22)16-18-32(25,3)24(23)15-17-33(26,29)4/h8-12,20,23-30,37H,13-19H2,1-7H3/t20-,23+,24-,25-,26-,27+,28-,29-,30+,32+,33+/m0/s1
InChIKey: CEFWIVSCALJZMU-ZZGCFVDSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachysandra axillaris | Pachysandra | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 538.7730000000004
TPSA？: 70.08
MolLogP？: 5.248600000000006
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|