(Salicylato-O1,O2)silver
| Internal ID | 56e8efa6-555c-4889-a60d-580adf7556d5 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acids |
| IUPAC Name | silver 2-carboxyphenolate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C7H6O3.Ag/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1 |
| InChI Key | QOVGHSPSIUCXQC-UHFFFAOYSA-M |
| Popularity | 1 reference in papers |
| Molecular Formula | C7H5AgO3 |
| Molecular Weight | 244.98 g/mol |
| Exact Mass | 243.92896 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 0.00 |
| Atomic LogP (AlogP) | 0.46 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 1 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9823 | 98.23% |
| Caco-2 | + | 0.9313 | 93.13% |
| Blood Brain Barrier | - | 0.7750 | 77.50% |
| Human oral bioavailability | + | 0.9000 | 90.00% |
| Subcellular localzation | Mitochondria | 0.9014 | 90.14% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9668 | 96.68% |
| OATP1B3 inhibitior | + | 0.9697 | 96.97% |
| MATE1 inhibitior | - | 0.8600 | 86.00% |
| OCT2 inhibitior | - | 1.0000 | 100.00% |
| BSEP inhibitior | - | 0.9563 | 95.63% |
| P-glycoprotein inhibitior | - | 0.9884 | 98.84% |
| P-glycoprotein substrate | - | 0.9907 | 99.07% |
| CYP3A4 substrate | - | 0.8467 | 84.67% |
| CYP2C9 substrate | - | 0.7993 | 79.93% |
| CYP2D6 substrate | - | 0.8946 | 89.46% |
| CYP3A4 inhibition | - | 0.9522 | 95.22% |
| CYP2C9 inhibition | - | 0.9353 | 93.53% |
| CYP2C19 inhibition | - | 0.8263 | 82.63% |
| CYP2D6 inhibition | - | 0.9298 | 92.98% |
| CYP1A2 inhibition | - | 0.8937 | 89.37% |
| CYP2C8 inhibition | - | 0.8951 | 89.51% |
| CYP inhibitory promiscuity | - | 0.9555 | 95.55% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.6599 | 65.99% |
| Carcinogenicity (trinary) | Non-required | 0.6760 | 67.60% |
| Eye corrosion | - | 0.6146 | 61.46% |
| Eye irritation | + | 1.0000 | 100.00% |
| Skin irritation | + | 0.8495 | 84.95% |
| Skin corrosion | - | 0.9601 | 96.01% |
| Ames mutagenesis | - | 0.8200 | 82.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.9131 | 91.31% |
| Micronuclear | + | 0.6396 | 63.96% |
| Hepatotoxicity | + | 0.7750 | 77.50% |
| skin sensitisation | + | 0.5184 | 51.84% |
| Respiratory toxicity | - | 0.5111 | 51.11% |
| Reproductive toxicity | + | 0.6778 | 67.78% |
| Mitochondrial toxicity | - | 0.8000 | 80.00% |
| Nephrotoxicity | + | 0.5717 | 57.17% |
| Acute Oral Toxicity (c) | III | 0.7741 | 77.41% |
| Estrogen receptor binding | - | 0.9228 | 92.28% |
| Androgen receptor binding | - | 0.8127 | 81.27% |
| Thyroid receptor binding | - | 0.6858 | 68.58% |
| Glucocorticoid receptor binding | - | 0.8989 | 89.89% |
| Aromatase binding | - | 0.8889 | 88.89% |
| PPAR gamma | - | 0.5402 | 54.02% |
| Honey bee toxicity | - | 0.9766 | 97.66% |
| Biodegradation | + | 0.9000 | 90.00% |
| Crustacea aquatic toxicity | - | 0.8500 | 85.00% |
| Fish aquatic toxicity | + | 0.9298 | 92.98% |
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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.44% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.73% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.67% | 98.95% |
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 82.11% | 92.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.90% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.28% | 86.33% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.95% | 87.67% |
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compound!
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