2-Hydroxy-4-methoxybenzamide
| Internal ID | e5a72664-1f3d-4853-b998-32c5c1251dd4 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives > Salicylamides |
| IUPAC Name | 2-hydroxy-4-methoxybenzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C8H9NO3/c1-12-5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11) |
| InChI Key | BCYRZPCPWKCINY-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.16 g/mol |
| Exact Mass | 167.058243149 g/mol |
| Topological Polar Surface Area (TPSA) | 72.60 Ų |
| XlogP | 1.30 |
| Atomic LogP (AlogP) | 0.50 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 2 |
| 2-Hydroxy-4-methoxybenzamide |
| 6745-77-3 |
| 4-methoxy salicylamide |
| Pyramidamycin A |
| 2-Hydroxy-4-methoxy-benzamide |
| SCHEMBL1447373 |
| DTXSID60406680 |
| BCYRZPCPWKCINY-UHFFFAOYSA-N |
| HMS1719P13 |
| BCP27145 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9890 | 98.90% |
| Caco-2 | + | 0.8854 | 88.54% |
| Blood Brain Barrier | + | 0.6000 | 60.00% |
| Human oral bioavailability | + | 0.6429 | 64.29% |
| Subcellular localzation | Mitochondria | 0.8374 | 83.74% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9782 | 97.82% |
| OATP1B3 inhibitior | + | 0.9697 | 96.97% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.9417 | 94.17% |
| P-glycoprotein inhibitior | - | 0.9762 | 97.62% |
| P-glycoprotein substrate | - | 0.9536 | 95.36% |
| CYP3A4 substrate | - | 0.6811 | 68.11% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8495 | 84.95% |
| CYP3A4 inhibition | - | 0.8718 | 87.18% |
| CYP2C9 inhibition | - | 0.9569 | 95.69% |
| CYP2C19 inhibition | - | 0.8815 | 88.15% |
| CYP2D6 inhibition | - | 0.9090 | 90.90% |
| CYP1A2 inhibition | - | 0.5914 | 59.14% |
| CYP2C8 inhibition | - | 0.8587 | 85.87% |
| CYP inhibitory promiscuity | - | 0.8977 | 89.77% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.7496 | 74.96% |
| Carcinogenicity (trinary) | Non-required | 0.6135 | 61.35% |
| Eye corrosion | - | 0.9831 | 98.31% |
| Eye irritation | + | 0.9852 | 98.52% |
| Skin irritation | - | 0.8553 | 85.53% |
| Skin corrosion | - | 0.9761 | 97.61% |
| Ames mutagenesis | - | 0.7400 | 74.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8343 | 83.43% |
| Micronuclear | + | 0.7000 | 70.00% |
| Hepatotoxicity | - | 0.7310 | 73.10% |
| skin sensitisation | - | 0.8466 | 84.66% |
| Respiratory toxicity | - | 0.5333 | 53.33% |
| Reproductive toxicity | + | 0.6778 | 67.78% |
| Mitochondrial toxicity | + | 0.5500 | 55.00% |
| Nephrotoxicity | - | 0.6594 | 65.94% |
| Acute Oral Toxicity (c) | III | 0.8505 | 85.05% |
| Estrogen receptor binding | - | 0.7321 | 73.21% |
| Androgen receptor binding | - | 0.5507 | 55.07% |
| Thyroid receptor binding | - | 0.5508 | 55.08% |
| Glucocorticoid receptor binding | - | 0.7528 | 75.28% |
| Aromatase binding | - | 0.5326 | 53.26% |
| PPAR gamma | - | 0.5406 | 54.06% |
| Honey bee toxicity | - | 0.9669 | 96.69% |
| Biodegradation | - | 0.5750 | 57.50% |
| Crustacea aquatic toxicity | - | 0.8000 | 80.00% |
| Fish aquatic toxicity | - | 0.7599 | 75.99% |
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 | 98.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.51% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.04% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.08% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.20% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.71% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.22% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.08% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.57% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.06% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.31% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.39% | 98.95% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.85% | 94.42% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.12% | 92.94% |
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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| PubChem | 4868377 |
| LOTUS | LTS0141059 |
| wikiData | Q72486046 |