None
AlkaPlorer ID: AK324207
Synonym: None
IUPAC Name: (2S)-N-[(3S,4S,7S,10Z)-7-[hydroxy(phenyl)methyl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide
Structure
SMILES: O=C(/C=C/C1=CC=CC=C1)N1CCC[C@H]1C(O)=N[C@@H]1C(O)=N[C@@H](C(O)C2=CC=CC=C2)C(O)=N/C=C\C2=CC=C(C=C2)O[C@H]1C1=CC=CC=C1
InChI: InChI=1S/C40H38N4O6/c45-33(23-20-27-11-4-1-5-12-27)44-26-10-17-32(44)38(47)43-35-37(30-15-8-3-9-16-30)50-31-21-18-28(19-22-31)24-25-41-39(48)34(42-40(35)49)36(46)29-13-6-2-7-14-29/h1-9,11-16,18-25,32,34-37,46H,10,17,26H2,(H,41,48)(H,42,49)(H,43,47)/b23-20+,25-24-/t32-,34-,35-,36?,37-/m0/s1
InChIKey: XGCJAXQZVRIRNN-XCPUTBMDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus oxyphylla | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 670.7660000000002
TPSA？: 147.54
MolLogP？: 6.835700000000007
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MRC5 | IC50 | 31200.0 | nM | 10.1021/acs.jnatprod.6b00633 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 7400.0 | nM | 10.1021/acs.jnatprod.6b00633 |