Compound Summary
Compound Information
(2s)-3-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}phenyl)pentan-3-Yl]phenoxy}propane-1,2-Diol
Compound Name: | (2s)-3-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}phenyl)pentan-3-Yl]phenoxy}propane-1,2-Diol |
Compound CID: | 46927350 |
Synonyms: | (2s)-3-{4-3-(4-{(2r)-2-Hydroxy-3,3-Dimethylbutyloxy}phenyl)pentan-3-Ylphenoxy}propane-1,2-Diol O11 TTYN-11 Q27464007 More... |
Iupac Name: | (2S)-3-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]phenyl]pentan-3-yl]phenoxy]propane-1,2-diol |
InChI: | InChI=1S/C26H38O5/c1-6-26(7-2,19-8-12-22(13-9-19)30-17-21(28)16-27)20-10-14-23(15-11-20)31-18-24(29)25(3,4)5/h8-15,21,24,27-29H,6-7,16-18H2,1-5H3/t21-,24-/m0/s1 |
InChIKey: | HPEKDMRENBLBLH-URXFXBBRSA-N |
Canonical Smiles: | CCC(CC)(C1=CC=C(C=C1)OCC(CO)O)C2=CC=C(C=C2)OCC(C(C)(C)C)O |
Isomeric Smiles: | CCC(CC)(C1=CC=C(C=C1)OC[C@H](CO)O)C2=CC=C(C=C2)OC[C@@H](C(C)(C)C)O |
Molecular Weight: | 430.6 |
Molecular Formula: | C26H38O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(2s)-3-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}phenyl)pentan-3-Yl]phenoxy}propane-1,2-Diol
Molecular Weight: | 430.6 |
Molecular Formula: | C26H38O5 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 12 |
Heavy Atom Count: | 31 |
Complexity: | 483 |
Synonyms
(2s)-3-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}phenyl)pentan-3-Yl]phenoxy}propane-1,2-Diol
| (2s)-3-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}phenyl)pentan-3-Yl]phenoxy}propane-1,2-Diol | (2s)-3-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}phenyl)pentan-3-Yl]phenoxy}propane-1,2-Diol |
|---|---|
(2s)-3-{4-3-(4-{(2r)-2-Hydroxy-3,3-Dimethylbutyloxy}phenyl)pentan-3-Ylphenoxy}propane-1,2-Diol |
O11 |
TTYN-11 |
Q27464007 |
Experimental Data
(2s)-3-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}phenyl)pentan-3-Yl]phenoxy}propane-1,2-Diol
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 60 | umol/L | 21.2 | 24.3 | 14.9 | S | N2 | 31879284 | Active |
Experimental Data Visualization
(2s)-3-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}phenyl)pentan-3-Yl]phenoxy}propane-1,2-Diol
Statistics Data
(2s)-3-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}phenyl)pentan-3-Yl]phenoxy}propane-1,2-Diol
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 14.9 | 1 | 1 |
Statistics Data Visualization
(2s)-3-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}phenyl)pentan-3-Yl]phenoxy}propane-1,2-Diol
