Compound Summary
Compound Information
8-(3-Chlorostyryl)caffeine
Compound Name: | 8-(3-Chlorostyryl)caffeine |
Compound CID: | 5353365 |
Synonyms: | 8-(3-Chlorostyryl)caffeine 8-CSC 148589-13-3 CSC CHEMBL26138 More... |
Iupac Name: | 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione |
InChI: | InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+ |
InChIKey: | WBWFIUAVMCNYPG-BQYQJAHWSA-N |
Canonical Smiles: | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=CC=C3)Cl |
Isomeric Smiles: | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=CC=C3)Cl |
Molecular Weight: | 330.77 |
Molecular Formula: | C16H15ClN4O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
8-(3-Chlorostyryl)caffeine
Molecular Weight: | 330.77 |
Molecular Formula: | C16H15ClN4O2 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 23 |
Complexity: | 526 |
Synonyms
8-(3-Chlorostyryl)caffeine
| 8-(3-Chlorostyryl)caffeine | 8-(3-Chlorostyryl)caffeine |
|---|---|
8-(3-Chlorostyryl)caffeine |
8-CSC |
148589-13-3 |
CSC |
CHEMBL26138 |
CHEBI:53115 |
8-(E)-2-(3-chlorophenyl)ethenyl-1,3,7-trimethylpurine-2,6-dione |
Csc cpd |
8-(E)-2-(3-Chlorophenyl)ethenyl-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
8-(3-CHLOROSTYRYL) CAFFEINE A2A ADENOSIN E RECEPTO |
8-(2-(3-Chlorophenyl)methyl)-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione |
8-(3-chlorostyryl) caffine |
Lopac0_000393 |
MLS000860039 |
SCHEMBL537055 |
GTPL5609 |
cid_5353365 |
AOB5970 |
DTXSID60872447 |
HMS2235C15 |
HMS3261O07 |
8-(1E)-3-Chlorostyrylcaffeine |
ZINC3809416 |
Tox21_500393 |
BDBM50037429 |
AKOS024457540 |
CCG-204487 |
LP00393 |
SDCCGSBI-0050380.P002 |
1H-Purine-2,6-dione, 8-(2-(3-chlorophenyl)methyl)-3,7-dihydro-1,3,7-trimethyl- |
NCGC00093821-01 |
NCGC00093821-02 |
NCGC00093821-03 |
NCGC00093821-04 |
NCGC00093821-07 |
NCGC00261078-01 |
SMR000326897 |
C-197 |
EU-0100393 |
(e)-8-(3-chlorostyryl)-1,3,7-trimethylxanthine |
8-(E)-3-Chlorostyryl-1,3,7-trimethylxanthine |
L011922 |
SR-01000075209 |
J-008393 |
SR-01000075209-1 |
Q27076920 |
8-2-(3-chlorophenyl)ethenyl-1,3,7-trimethylpurine-2,6-dione |
(E)-8-(3-Chlorostyryl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione |
(E)-8-(3-chlorostyryl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
(E)-8-2-(3-Chlorophenyl)ethenyl-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione |
1,2,3,6-Tetrahydropurin-2,6-dione, 1,3,7-trimethyl-8-2-(3-chlorophenyl)ethenyl- |
8-(E)-2-(3-Chlorophenyl)ethenyl-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione # |
8-2-(3-Chloro-phenyl)-vinyl-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione |
Experimental Data
8-(3-Chlorostyryl)caffeine
| 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 | 33 | umol/L | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
8-(3-Chlorostyryl)caffeine
Statistics Data
8-(3-Chlorostyryl)caffeine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
8-(3-Chlorostyryl)caffeine
