2,6-Dichlorohydroquinone
| Internal ID | 0f1ce2c1-b4b1-4021-b75b-27b16cf96a27 |
| Taxonomy | Benzenoids > Phenols > 1,4-dihydroxy-2-halobenzenoids |
| IUPAC Name | 2,6-dichlorobenzene-1,4-diol |
| SMILES (Canonical) | C1=C(C=C(C(=C1Cl)O)Cl)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1Cl)O)Cl)O |
| InChI | InChI=1S/C6H4Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H |
| InChI Key | QQAHQUBHRBQWBL-UHFFFAOYSA-N |
| Popularity | 82 references in papers |
| Molecular Formula | C6H4Cl2O2 |
| Molecular Weight | 179.00 g/mol |
| Exact Mass | 177.9588348 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 2.70 |
| Atomic LogP (AlogP) | 2.40 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 0 |
| 20103-10-0 |
| 2,6-dichlorobenzene-1,4-diol |
| 2,6-Dichloro-4-hydroxyphenol |
| 2,6-Dichloro-p-benzohydroquinone |
| 2,6-DICHLORO-1,4-HYDROQUINONE |
| 2,6-Dichloro-4-hydroquinone |
| DiCH |
| 2,6-Dichloro-1,4-benzenediol |
| 1,4-Benzenediol, 2,6-dichloro- |
| W2H9QF4CGP |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9960 | 99.60% |
| Caco-2 | + | 0.6461 | 64.61% |
| Blood Brain Barrier | - | 0.5000 | 50.00% |
| Human oral bioavailability | - | 0.5000 | 50.00% |
| Subcellular localzation | Mitochondria | 0.9056 | 90.56% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8715 | 87.15% |
| OATP1B3 inhibitior | + | 0.8859 | 88.59% |
| MATE1 inhibitior | - | 0.6000 | 60.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | - | 0.9382 | 93.82% |
| P-glycoprotein inhibitior | - | 0.9799 | 97.99% |
| P-glycoprotein substrate | - | 0.9954 | 99.54% |
| CYP3A4 substrate | - | 0.7155 | 71.55% |
| CYP2C9 substrate | - | 0.6786 | 67.86% |
| CYP2D6 substrate | - | 0.7100 | 71.00% |
| CYP3A4 inhibition | - | 0.8538 | 85.38% |
| CYP2C9 inhibition | + | 0.6280 | 62.80% |
| CYP2C19 inhibition | + | 0.6013 | 60.13% |
| CYP2D6 inhibition | - | 0.9156 | 91.56% |
| CYP1A2 inhibition | + | 0.7606 | 76.06% |
| CYP2C8 inhibition | - | 0.8249 | 82.49% |
| CYP inhibitory promiscuity | + | 0.5000 | 50.00% |
| UGT catelyzed | + | 0.9000 | 90.00% |
| Carcinogenicity (binary) | - | 0.5332 | 53.32% |
| Carcinogenicity (trinary) | Non-required | 0.6193 | 61.93% |
| Eye corrosion | + | 0.9775 | 97.75% |
| Eye irritation | + | 0.9916 | 99.16% |
| Skin irritation | + | 0.9352 | 93.52% |
| Skin corrosion | + | 0.7634 | 76.34% |
| Ames mutagenesis | - | 0.9037 | 90.37% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8004 | 80.04% |
| Micronuclear | - | 0.5725 | 57.25% |
| Hepatotoxicity | + | 0.7875 | 78.75% |
| skin sensitisation | + | 0.9706 | 97.06% |
| Respiratory toxicity | - | 0.7000 | 70.00% |
| Reproductive toxicity | + | 0.8667 | 86.67% |
| Mitochondrial toxicity | - | 0.8250 | 82.50% |
| Nephrotoxicity | + | 0.5389 | 53.89% |
| Acute Oral Toxicity (c) | III | 0.8028 | 80.28% |
| Estrogen receptor binding | + | 0.7095 | 70.95% |
| Androgen receptor binding | + | 0.6809 | 68.09% |
| Thyroid receptor binding | + | 0.7129 | 71.29% |
| Glucocorticoid receptor binding | - | 0.5585 | 55.85% |
| Aromatase binding | - | 0.7108 | 71.08% |
| PPAR gamma | + | 0.7502 | 75.02% |
| Honey bee toxicity | - | 0.9543 | 95.43% |
| Biodegradation | - | 0.6000 | 60.00% |
| Crustacea aquatic toxicity | + | 0.8900 | 89.00% |
| Fish aquatic toxicity | + | 0.9428 | 94.28% |
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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 88.18% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.51% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.19% | 90.00% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 82.69% | 91.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.86% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.26% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 88366 |
| LOTUS | LTS0204994 |
| wikiData | Q27103235 |