| Compound | Protocatechuic acid |
| NPACT-Id | NPACT00881 |
| IUPAC | 3,4-dihydroxybenzoic acid |
| Synonyms | 3,4-DIHYDROXYBENZOIC ACID;Protocatechuate;Protocatehuic acid;Benzoic acid,3,4-dihydroxy-;4-Carboxy-1,2-dihydroxybenzene;4,5-Dihydroxybenzoic acid;3,4-dihydroxybenzoes;3,4-dihydrobenzoic acid;Catechol-4-carboxylic Acid;b-Resorcylate;Beta-Resorcylate;Protacatechuic Acid;3,4-Dihydroxybenzoic acid;Pyrocatechol-4-carboxylic Acid |
| PubChem Id | 72 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | AKT1 | MMP2 | MMP9 | NFKB1 | RHOB | TIMP2 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
| InChi | 1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
| SMILES | Oc1cc(ccc1O)C(=O)O |
|
SMART | [H]OC(=O)C1=C([H])C(O[H])=C(O[H])C([H])=C1[H] |
| CAS No. | 99-50-3 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | 000099503 |
| CTD | C009091 |
| HIT | C0572 |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Ambinter, Biosynth, ChemFrog, Chemical Synthesis
Database, ChemMol, Enamine, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical
Industry), Vitas-M Laboratory, |
| 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 |