None
AlkaPlorer ID: AK324596
Synonym: None
IUPAC Name: [(1S,2R,4R)-5,6-bis(2,2-dimethylpropanoyloxy)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]-7-(2-phenylethylcarbamoyl)-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=CC=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/C43H61NO7/c1-26(2)18-17-19-27(3)33-30-25-31(37(45)44-23-22-29-20-15-14-16-21-29)35(50-39(47)42(8,9)10)36(51-40(48)43(11,12)13)34(30)28(4)24-32(33)49-38(46)41(5,6)7/h14-16,18,20-21,25,27-28,32-33H,17,19,22-24H2,1-13H3,(H,44,45)/t27-,28+,32+,33-/m0/s1
InChIKey: MBOHBFYDEJZCHV-LZJTZNCMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eremophila microtheca | Eremophila | Scrophulariaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 703.961
TPSA？: 111.49
MolLogP？: 10.068099999999996
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 | 1400.0 | nM | 10.1016/j.bmcl.2017.07.039 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 3630.0 | nM | 10.1016/j.bmcl.2017.07.039 |
| None | Unchecked | Ratio IC50 | 2.6 | None | 10.1016/j.bmcl.2017.07.039 |
| None | Unchecked | Ratio IC50 | 57.0 | None | 10.1016/j.bmcl.2017.07.039 |