2,3-Dimethoxyphenol
| Internal ID | 5362bea3-2925-408c-9976-d9fa0080cb16 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 2,3-dimethoxyphenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3 |
| InChI Key | QSZCGGBDNYTQHH-UHFFFAOYSA-N |
| Popularity | 228 references in papers |
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.16 g/mol |
| Exact Mass | 154.062994177 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 1.20 |
| Atomic LogP (AlogP) | 1.41 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 2 |
| 5150-42-5 |
| Phenol, 2,3-dimethoxy- |
| 1-Hydroxy-2,3-dimethoxybenzene |
| dimethoxy-phenol |
| OW147I6C84 |
| EINECS 225-922-2 |
| NSC 80659 |
| NSC-80659 |
| RefChem:442450 |
| Phenol, 2,3-dimethoxy-(8CI) |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9923 | 99.23% |
| Caco-2 | + | 0.8412 | 84.12% |
| Blood Brain Barrier | - | 0.5250 | 52.50% |
| Human oral bioavailability | + | 0.7857 | 78.57% |
| Subcellular localzation | Mitochondria | 0.8791 | 87.91% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9681 | 96.81% |
| OATP1B3 inhibitior | + | 0.9869 | 98.69% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9750 | 97.50% |
| BSEP inhibitior | - | 0.9484 | 94.84% |
| P-glycoprotein inhibitior | - | 0.9832 | 98.32% |
| P-glycoprotein substrate | - | 0.9693 | 96.93% |
| CYP3A4 substrate | - | 0.6326 | 63.26% |
| CYP2C9 substrate | - | 0.7845 | 78.45% |
| CYP2D6 substrate | + | 0.4222 | 42.22% |
| CYP3A4 inhibition | - | 0.9436 | 94.36% |
| CYP2C9 inhibition | - | 0.9874 | 98.74% |
| CYP2C19 inhibition | - | 0.7387 | 73.87% |
| CYP2D6 inhibition | - | 0.9477 | 94.77% |
| CYP1A2 inhibition | - | 0.6341 | 63.41% |
| CYP2C8 inhibition | - | 0.6968 | 69.68% |
| CYP inhibitory promiscuity | - | 0.7756 | 77.56% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.7590 | 75.90% |
| Carcinogenicity (trinary) | Non-required | 0.5525 | 55.25% |
| Eye corrosion | + | 0.8861 | 88.61% |
| Eye irritation | + | 0.9950 | 99.50% |
| Skin irritation | + | 0.8562 | 85.62% |
| Skin corrosion | - | 0.7985 | 79.85% |
| Ames mutagenesis | - | 0.7500 | 75.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6445 | 64.45% |
| Micronuclear | - | 0.6367 | 63.67% |
| Hepatotoxicity | + | 0.5250 | 52.50% |
| skin sensitisation | + | 0.6769 | 67.69% |
| Respiratory toxicity | - | 0.8556 | 85.56% |
| Reproductive toxicity | + | 0.8556 | 85.56% |
| Mitochondrial toxicity | - | 0.9500 | 95.00% |
| Nephrotoxicity | + | 0.5243 | 52.43% |
| Acute Oral Toxicity (c) | III | 0.8523 | 85.23% |
| Estrogen receptor binding | - | 0.8291 | 82.91% |
| Androgen receptor binding | - | 0.8470 | 84.70% |
| Thyroid receptor binding | - | 0.7959 | 79.59% |
| Glucocorticoid receptor binding | - | 0.9361 | 93.61% |
| Aromatase binding | - | 0.8574 | 85.74% |
| PPAR gamma | - | 0.8481 | 84.81% |
| Honey bee toxicity | - | 0.9805 | 98.05% |
| Biodegradation | + | 0.5500 | 55.00% |
| Crustacea aquatic toxicity | + | 0.6100 | 61.00% |
| Fish aquatic toxicity | + | 0.7112 | 71.12% |
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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.36% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.74% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.82% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.03% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.87% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.34% | 93.99% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.92% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.57% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.45% | 94.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.98% | 94.03% |
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 | 78828 |
| LOTUS | LTS0208853 |
| wikiData | Q27285874 |