None
AlkaPlorer ID: AK324598
Synonym: None
IUPAC Name: [(1S,2R,4R)-7-[2-(4-chlorophenyl)ethylcarbamoyl]-5,6-bis(2,2-dimethylpropanoyloxy)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,4-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]1OC(=O)C(C)(C)C
InChI: InChI=1S/C43H60ClNO7/c1-25(2)15-14-16-26(3)33-30-24-31(37(46)45-22-21-28-17-19-29(44)20-18-28)35(51-39(48)42(8,9)10)36(52-40(49)43(11,12)13)34(30)27(4)23-32(33)50-38(47)41(5,6)7/h15,17-20,24,26-27,32-33H,14,16,21-23H2,1-13H3,(H,45,46)/t26-,27+,32+,33-/m0/s1
InChIKey: QWMVMQDUTKQZET-CSKDIPCXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eremophila microtheca | Eremophila | Scrophulariaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 738.406
TPSA？: 111.49
MolLogP？: 10.721499999999992
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | GI | nan | None | 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 | 2700.0 | nM | 10.1016/j.bmcl.2017.07.039 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 5940.0 | nM | 10.1016/j.bmcl.2017.07.039 |
| None | Unchecked | Ratio IC50 | 2.2 | None | 10.1016/j.bmcl.2017.07.039 |
| None | Unchecked | Ratio IC50 | 30.0 | None | 10.1016/j.bmcl.2017.07.039 |