Quinolin-4-ylmethanol
| Internal ID | 34fc2e08-4b24-4c28-b927-37af1f983ab5 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > 4-quinolinemethanols |
| IUPAC Name | quinolin-4-ylmethanol |
| SMILES (Canonical) | C1=CC=C2C(=C1)C(=CC=N2)CO |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CC=N2)CO |
| InChI | InChI=1S/C10H9NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-6,12H,7H2 |
| InChI Key | KXYNLLGPBDUAHW-UHFFFAOYSA-N |
| Popularity | 49 references in papers |
| Molecular Formula | C10H9NO |
| Molecular Weight | 159.18 g/mol |
| Exact Mass | 159.068413911 g/mol |
| Topological Polar Surface Area (TPSA) | 33.10 Ų |
| XlogP | 1.40 |
| Atomic LogP (AlogP) | 1.73 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 1 |
| 6281-32-9 |
| 4-Quinolylmethanol |
| 4-Quinolinemethanol |
| 4-(hydroxymethyl)quinoline |
| 4-Hydroxymethylquinoline |
| (quinolin-4-yl)methanol |
| MFCD01006059 |
| RL7X3EV8AA |
| NSC-6507 |
| QUINOLIN-4-YL-METHANOL |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9941 | 99.41% |
| Caco-2 | + | 0.8683 | 86.83% |
| Blood Brain Barrier | + | 0.9250 | 92.50% |
| Human oral bioavailability | + | 0.7286 | 72.86% |
| Subcellular localzation | Mitochondria | 0.4035 | 40.35% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9633 | 96.33% |
| OATP1B3 inhibitior | + | 0.9560 | 95.60% |
| MATE1 inhibitior | - | 0.9400 | 94.00% |
| OCT2 inhibitior | - | 0.8000 | 80.00% |
| BSEP inhibitior | - | 0.8379 | 83.79% |
| P-glycoprotein inhibitior | - | 0.9823 | 98.23% |
| P-glycoprotein substrate | - | 0.9562 | 95.62% |
| CYP3A4 substrate | - | 0.6904 | 69.04% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.7941 | 79.41% |
| CYP3A4 inhibition | - | 0.8425 | 84.25% |
| CYP2C9 inhibition | - | 0.7154 | 71.54% |
| CYP2C19 inhibition | + | 0.7827 | 78.27% |
| CYP2D6 inhibition | - | 0.5511 | 55.11% |
| CYP1A2 inhibition | + | 0.8590 | 85.90% |
| CYP2C8 inhibition | + | 0.5702 | 57.02% |
| CYP inhibitory promiscuity | - | 0.7308 | 73.08% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 0.7700 | 77.00% |
| Carcinogenicity (trinary) | Non-required | 0.7647 | 76.47% |
| Eye corrosion | - | 0.9834 | 98.34% |
| Eye irritation | + | 0.9864 | 98.64% |
| Skin irritation | + | 0.6696 | 66.96% |
| Skin corrosion | - | 0.9144 | 91.44% |
| Ames mutagenesis | - | 0.8100 | 81.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6581 | 65.81% |
| Micronuclear | - | 0.5600 | 56.00% |
| Hepatotoxicity | + | 0.5473 | 54.73% |
| skin sensitisation | - | 0.6707 | 67.07% |
| Respiratory toxicity | - | 0.6444 | 64.44% |
| Reproductive toxicity | - | 0.5000 | 50.00% |
| Mitochondrial toxicity | - | 0.6750 | 67.50% |
| Nephrotoxicity | - | 0.7358 | 73.58% |
| Acute Oral Toxicity (c) | III | 0.7501 | 75.01% |
| Estrogen receptor binding | - | 0.5887 | 58.87% |
| Androgen receptor binding | - | 0.7526 | 75.26% |
| Thyroid receptor binding | - | 0.7473 | 74.73% |
| Glucocorticoid receptor binding | - | 0.7412 | 74.12% |
| Aromatase binding | - | 0.6285 | 62.85% |
| PPAR gamma | + | 0.6358 | 63.58% |
| Honey bee toxicity | - | 0.9408 | 94.08% |
| Biodegradation | - | 0.7250 | 72.50% |
| Crustacea aquatic toxicity | - | 0.6000 | 60.00% |
| Fish aquatic toxicity | - | 0.8574 | 85.74% |
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 | 97.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.54% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.01% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.80% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.65% | 91.49% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.80% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.72% | 95.56% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 82.36% | 96.47% |
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 | 80479 |
| LOTUS | LTS0194052 |
| wikiData | Q77384647 |