| Compound | Benzaldehyde |
| NPACT-Id | NPACT00314 |
| IUPAC | benzoic acid |
| Synonyms | Benzenecarbonal; Benzoic aldehyde; Phenylmethanal; Benzenecarboxaldehyde; Benzenemethylal; Benzene carboxaldehyde; Benzoyl hydride; Benzene carbaldehyde; benzanoaldehyde; Benzene methylal; Phenylmethanone; Phenylformaldehyde; Benzoic acid aldehyde; Phenylmethanal benzenecarboxaldehyde |
| PubChem Id | 240 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
| InChi | 1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
| SMILES | O=Cc1ccccc1 |
|
SMART | [H]C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H] |
| CAS No. | 100-52-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C032175 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Angene International, ChemExper Chemical Directory, ChemFrog, Chemical
Synthesis Database, IS Chemical Technology, MP Biomedicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |