| Compound | Quinic acid |
| NPACT-Id | NPACT00894 |
| IUPAC | (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid |
| Synonyms | Kinic acid; |
| PubChem Id | 6508 |
| Class | Organic chemical |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | AAWZDTNXLSGCEK-LNVDRNJUSA-N |
| InChi | 1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1 |
| SMILES | O[C@]1(C[C@@H](O)[C@H](O)[C@H](O)C1)C(=O)O |
|
SMART | [H]OC(=O)[C@]1(O[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C1([H])[H] |
| CAS No. | 77-95-2 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000077952 |
| CTD | D011801 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, ChemMol, Kingston
Chemistry, MolPort, 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 |