Chlorohydroquinone
| Internal ID | 87271d1f-4c1f-4425-aad4-4266e1f3cf76 |
| Taxonomy | Benzenoids > Phenols > 1,4-dihydroxy-2-halobenzenoids |
| IUPAC Name | 2-chlorobenzene-1,4-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H |
| InChI Key | AJPXTSMULZANCB-UHFFFAOYSA-N |
| Popularity | 309 references in papers |
| Molecular Formula | C6H5ClO2 |
| Molecular Weight | 144.55 g/mol |
| Exact Mass | 143.9978071 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 1.40 |
| Atomic LogP (AlogP) | 1.75 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 0 |
| 615-67-8 |
| 2-chlorobenzene-1,4-diol |
| 2-Chlorohydroquinone |
| Chloroquinol |
| Monochlorohydroquinone |
| 1,4-Benzenediol, 2-chloro- |
| 2-Chloro-1,4-benzenediol |
| Hydroquinone, chloro- |
| 2,5-Dihydroxychlorobenzene |
| 2-Chloro-1,4-dihydroxybenzene |
| 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 | + | 0.7243 | 72.43% |
| Blood Brain Barrier | - | 0.5000 | 50.00% |
| Human oral bioavailability | - | 0.5714 | 57.14% |
| Subcellular localzation | Mitochondria | 0.9056 | 90.56% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9215 | 92.15% |
| OATP1B3 inhibitior | + | 0.8859 | 88.59% |
| MATE1 inhibitior | - | 0.6000 | 60.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | - | 0.9638 | 96.38% |
| P-glycoprotein inhibitior | - | 0.9860 | 98.60% |
| P-glycoprotein substrate | - | 0.9934 | 99.34% |
| CYP3A4 substrate | - | 0.7073 | 70.73% |
| 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 | - | 0.7561 | 75.61% |
| 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 | + | 0.9963 | 99.63% |
| Skin irritation | + | 0.9352 | 93.52% |
| Skin corrosion | + | 0.7634 | 76.34% |
| Ames mutagenesis | - | 0.8600 | 86.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7819 | 78.19% |
| Micronuclear | - | 0.5725 | 57.25% |
| Hepatotoxicity | + | 0.7625 | 76.25% |
| skin sensitisation | + | 0.9706 | 97.06% |
| Respiratory toxicity | - | 0.7222 | 72.22% |
| Reproductive toxicity | + | 0.8667 | 86.67% |
| Mitochondrial toxicity | - | 0.8250 | 82.50% |
| Nephrotoxicity | + | 0.6233 | 62.33% |
| Acute Oral Toxicity (c) | III | 0.8028 | 80.28% |
| Estrogen receptor binding | - | 0.5932 | 59.32% |
| Androgen receptor binding | - | 0.5429 | 54.29% |
| Thyroid receptor binding | - | 0.5660 | 56.60% |
| Glucocorticoid receptor binding | - | 0.8362 | 83.62% |
| Aromatase binding | - | 0.8341 | 83.41% |
| PPAR gamma | - | 0.5962 | 59.62% |
| Honey bee toxicity | - | 0.9688 | 96.88% |
| Biodegradation | - | 0.9250 | 92.50% |
| Crustacea aquatic toxicity | + | 0.8300 | 83.00% |
| 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 | 96.73% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.07% | 98.35% |
| CHEMBL3194 | P02766 | Transthyretin | 91.01% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.81% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.59% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.13% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.95% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.12% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.47% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.27% | 95.56% |
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 | 301 |
| LOTUS | LTS0123704 |
| wikiData | Q27103255 |