None
AlkaPlorer ID: AK324601
Synonym: None
IUPAC Name: [(1S,2R,4R)-7-(benzylcarbamoyl)-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)=NCC3=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/C42H59NO7/c1-25(2)18-17-19-26(3)32-29-23-30(36(44)43-24-28-20-15-14-16-21-28)34(49-38(46)41(8,9)10)35(50-39(47)42(11,12)13)33(29)27(4)22-31(32)48-37(45)40(5,6)7/h14-16,18,20-21,23,26-27,31-32H,17,19,22,24H2,1-13H3,(H,43,44)/t26-,27+,31+,32-/m0/s1
InChIKey: KAZLCYYMRFZJDW-MAMCHFAYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eremophila microtheca | Eremophila | Scrophulariaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 689.9340000000001
TPSA？: 111.49
MolLogP？: 10.025599999999995
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 | 82.0 | % | 10.1016/j.bmcl.2017.07.039 |
| Homo sapiens | HEK293 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2017.07.039 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2120.0 | nM | 10.1016/j.bmcl.2017.07.039 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 6170.0 | nM | 10.1016/j.bmcl.2017.07.039 |
| None | Unchecked | Ratio IC50 | 2.9 | None | 10.1016/j.bmcl.2017.07.039 |
| None | Unchecked | Ratio IC50 | 19.0 | None | 10.1016/j.bmcl.2017.07.039 |