6-Methoxyphenazin-1-ol
| Internal ID | 99161037-b0cd-442c-b5be-009a0d66e041 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | 6-methoxyphenazin-1-ol |
| SMILES (Canonical) | COC1=CC=CC2=NC3=C(C=CC=C3O)N=C21 |
| SMILES (Isomeric) | COC1=CC=CC2=NC3=C(C=CC=C3O)N=C21 |
| InChI | InChI=1S/C13H10N2O2/c1-17-11-7-3-5-9-13(11)15-8-4-2-6-10(16)12(8)14-9/h2-7,16H,1H3 |
| InChI Key | DUXXRWZHWRRFTL-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C13H10N2O2 |
| Molecular Weight | 226.23 g/mol |
| Exact Mass | 226.074227566 g/mol |
| Topological Polar Surface Area (TPSA) | 55.20 Ų |
| XlogP | 2.20 |
| Atomic LogP (AlogP) | 2.50 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 1 |
| 13129-58-3 |
| 1-hydroxy-6-methoxyphenazine |
| 6-methoxy-1-phenazinol |
| 1-methoxy-6-hydroxyphenazine |
| 1-Phenazinol, 6-methoxy- |
| ZPJ2DN6M89 |
| 6-Methoxyphenazin-1(5H)-one |
| SCHEMBL3724122 |
| CHEMBL4216006 |
| DTXSID90614554 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9964 | 99.64% |
| Caco-2 | - | 0.7056 | 70.56% |
| Blood Brain Barrier | + | 0.7129 | 71.29% |
| Human oral bioavailability | + | 0.7857 | 78.57% |
| Subcellular localzation | Mitochondria | 0.8177 | 81.77% |
| OATP2B1 inhibitior | - | 0.8634 | 86.34% |
| OATP1B1 inhibitior | + | 0.9719 | 97.19% |
| OATP1B3 inhibitior | + | 0.9711 | 97.11% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | + | 0.6356 | 63.56% |
| P-glycoprotein inhibitior | - | 0.9033 | 90.33% |
| P-glycoprotein substrate | - | 0.9205 | 92.05% |
| CYP3A4 substrate | - | 0.5562 | 55.62% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.7267 | 72.67% |
| CYP3A4 inhibition | - | 0.7206 | 72.06% |
| CYP2C9 inhibition | - | 0.9450 | 94.50% |
| CYP2C19 inhibition | - | 0.6460 | 64.60% |
| CYP2D6 inhibition | - | 0.9389 | 93.89% |
| CYP1A2 inhibition | + | 0.8394 | 83.94% |
| CYP2C8 inhibition | + | 0.5590 | 55.90% |
| CYP inhibitory promiscuity | - | 0.7774 | 77.74% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.9123 | 91.23% |
| Carcinogenicity (trinary) | Non-required | 0.6374 | 63.74% |
| Eye corrosion | - | 0.9935 | 99.35% |
| Eye irritation | + | 0.8270 | 82.70% |
| Skin irritation | - | 0.7989 | 79.89% |
| Skin corrosion | - | 0.9730 | 97.30% |
| Ames mutagenesis | + | 0.5800 | 58.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6119 | 61.19% |
| Micronuclear | + | 0.6900 | 69.00% |
| Hepatotoxicity | + | 0.6500 | 65.00% |
| skin sensitisation | - | 0.9099 | 90.99% |
| Respiratory toxicity | - | 0.8444 | 84.44% |
| Reproductive toxicity | + | 0.6889 | 68.89% |
| Mitochondrial toxicity | - | 0.8125 | 81.25% |
| Nephrotoxicity | + | 0.6748 | 67.48% |
| Acute Oral Toxicity (c) | III | 0.7562 | 75.62% |
| Estrogen receptor binding | + | 0.9333 | 93.33% |
| Androgen receptor binding | + | 0.5650 | 56.50% |
| Thyroid receptor binding | + | 0.8043 | 80.43% |
| Glucocorticoid receptor binding | + | 0.9621 | 96.21% |
| Aromatase binding | + | 0.8850 | 88.50% |
| PPAR gamma | + | 0.7881 | 78.81% |
| Honey bee toxicity | - | 0.9708 | 97.08% |
| Biodegradation | - | 0.8000 | 80.00% |
| Crustacea aquatic toxicity | + | 0.5600 | 56.00% |
| Fish aquatic toxicity | - | 0.9330 | 93.30% |
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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.99% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.17% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.38% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.35% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.29% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.90% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.79% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.51% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.56% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.47% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.94% | 90.20% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.68% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.80% | 94.75% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 84.77% | 94.03% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 83.99% | 89.32% |
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 | 135698454 |
| LOTUS | LTS0243758 |
| wikiData | Q104989664 |