Compound Summary
Dopaxanthin
Compound Information
Dopaxanthin
Compound Name: | Dopaxanthin |
Compound CID: | 135438589 |
Synonyms: | Dopaxanthin 71199-31-0 3-dihydropyridine-2,6-dicarboxylic acid C08543 CHEBI:4700 More... |
Iupac Name: | (2S,4E)-4-[2-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid |
InChI: | InChI=1S/C18H18N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4?/t11-,13-/m0/s1 |
InChIKey: | YSNPSKZBOQYUHH-JZCSJQFLSA-N |
Canonical Smiles: | C1C(NC(=CC1=CC=NC(CC2=CC(=C(C=C2)O)O)C(=O)O)C(=O)O)C(=O)O |
Isomeric Smiles: | C\1[C@H](NC(=C/C1=C/C=N[C@@H](CC2=CC(=C(C=C2)O)O)C(=O)O)C(=O)O)C(=O)O |
Molecular Weight: | 390.3 |
Molecular Formula: | C18H18N2O8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Dopaxanthin
Molecular Weight: | 390.3 |
Molecular Formula: | C18H18N2O8 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 28 |
Complexity: | 714 |
Synonyms
Dopaxanthin
| Dopaxanthin | Dopaxanthin |
|---|---|
Dopaxanthin |
71199-31-0 |
3-dihydropyridine-2,6-dicarboxylic acid |
C08543 |
CHEBI:4700 |
Q27106439 |
(S,E)-4-((E)-2-(((S)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl)imino)ethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid |
Experimental Data
Dopaxanthin
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 10.090000000000000 | 11.530000000000000 | 14.270000000000000 | S | N2 | 32535316 | Active | ||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 10.090000000000000 | 11.470000000000000 | 13.680000000000000 | S | N2 | 32535316 | Active | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 10.090000000000000 | 12.160000000000000 | 20.520000000000000 | S | N2 | 32535316 | Active | ||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 8.350000000000000 | 9.430000000000000 | 12.930000000000000 | S | N2 | 32535316 | Active | ||||
| Caenorhabditis elegans | 10.000000000000000 | umol/L | 10.090000000000000 | 11.450000000000000 | 13.480000000000000 | S | N2 | 32535316 | Active |
Experimental Data Visualization
Dopaxanthin
Statistics Data
Dopaxanthin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 20.520000000000000 | 1 | 5 |
Statistics Data Visualization
Dopaxanthin
