| Compound | Cresol |
| NPACT-Id | NPACT00442 |
| IUPAC | (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid |
| Synonyms | m-cresol; o-cresol; p-cresol; 2-methylphenol; 3-methylphenol; 4-methylphenol; Methylphenol tricresol |
| PubChem Id | 24693 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | QTWJRLJHJPIABL-UHFFFAOYSA-N |
| InChi | 1S/3C7H8O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h3*2-5,8H,1H3 |
| SMILES | Oc1c(cccc1)C.Oc1cc(ccc1)C.Oc1ccc(cc1)C |
|
SMART | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H].[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H].[H]OC1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H] |
| CAS No. | 106-44-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C077977 |
| HIT | C0567 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Amadis Chemical, ChemFrog, Sigma-Aldrich, |
| 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 |