None
AlkaPlorer ID: AK324599
Synonym: None
IUPAC Name: [(5S,6R,8R)-3-[2-(4-chlorophenyl)ethylcarbamoyl]-1-(2,2-dimethylpropanoyloxy)-6-hydroxy-8-methyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
Structure
SMILES: CC(C)=CCC[C@H](C)[C@H]1C2=CC(C(O)=NCCC3=CC=C(Cl)C=C3)=C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)=C2[C@H](C)C[C@H]1O
InChI: InChI=1S/C38H52ClNO6/c1-22(2)12-11-13-23(3)30-27-21-28(34(42)40-19-18-25-14-16-26(39)17-15-25)32(45-35(43)37(5,6)7)33(46-36(44)38(8,9)10)31(27)24(4)20-29(30)41/h12,14-17,21,23-24,29-30,41H,11,13,18-20H2,1-10H3,(H,40,42)/t23-,24+,29+,30-/m0/s1
InChIKey: LRGTZVPMQUGIHH-JPBZRQQJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eremophila microtheca | Eremophila | Scrophulariaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 654.2880000000001
TPSA？: 105.42
MolLogP？: 9.1245
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | GI | 68.0 | % | 10.1016/j.bmcl.2017.07.039 |
| Homo sapiens | HEK293 | IC50 | 80000.0 | nM | 10.1016/j.bmcl.2017.07.039 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2440.0 | nM | 10.1016/j.bmcl.2017.07.039 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 4570.0 | nM | 10.1016/j.bmcl.2017.07.039 |
| None | Unchecked | Ratio IC50 | 1.9 | None | 10.1016/j.bmcl.2017.07.039 |
| None | Unchecked | Ratio IC50 | 32.0 | None | 10.1016/j.bmcl.2017.07.039 |