4-Dodecylbenzene-1,2-diol
| Internal ID | da21588f-7af5-48f1-a6b5-b74ab79b91df |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Catechols |
| IUPAC Name | 4-dodecylbenzene-1,2-diol |
| SMILES (Canonical) | CCCCCCCCCCCCC1=CC(=C(C=C1)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCC1=CC(=C(C=C1)O)O |
| InChI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)18(20)15-16/h13-15,19-20H,2-12H2,1H3 |
| InChI Key | IGLIUFGSGJRAQF-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H30O2 |
| Molecular Weight | 278.40 g/mol |
| Exact Mass | 278.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 7.30 |
| 4-dodecyl catechol |
| 1155-60-8 |
| SCHEMBL10352944 |
| DTXSID90576587 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.28% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.78% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.63% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.13% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.94% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.59% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.10% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.53% | 100.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 87.34% | 92.68% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.49% | 97.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.28% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.21% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.10% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.86% | 94.45% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.30% | 96.37% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 80.34% | 94.01% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.07% | 90.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Verbena officinalis |
| PubChem | 15667771 |
| LOTUS | LTS0086852 |
| wikiData | Q82466372 |