Streptophenazine H
| Internal ID | eb69a3a6-0a66-4f6d-ad8a-671b810a853a |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | methyl 6-(3,7-dihydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H28N2O6/c1-24(2,30)13-7-12-18(27)19(23(29)32-4)14-8-5-10-16-20(14)25-17-11-6-9-15(21(17)26-16)22(28)31-3/h5-6,8-11,18-19,27,30H,7,12-13H2,1-4H3 |
| InChI Key | WLMRJQPFNIUWBX-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H28N2O6 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.19473662 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 2.70 |
| Atomic LogP (AlogP) | 3.13 |
| H-Bond Acceptor | 8 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 8 |
| methyl 6-(3,7-dihydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate |
| RefChem:185964 |
| methyl 6-(1,6-dihydroxy-2-methoxycarbonyl-6-methylheptyl)phenazine-1-carboxylate |
| Methyl 6-(3,7-dihydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylic acid |
| 1018439-70-7 |
| CHEMBL467740 |
| CHEBI:198814 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9246 | 92.46% |
| Caco-2 | - | 0.7554 | 75.54% |
| Blood Brain Barrier | + | 0.5750 | 57.50% |
| Human oral bioavailability | - | 0.5000 | 50.00% |
| Subcellular localzation | Mitochondria | 0.7041 | 70.41% |
| OATP2B1 inhibitior | - | 0.8521 | 85.21% |
| OATP1B1 inhibitior | + | 0.9322 | 93.22% |
| OATP1B3 inhibitior | + | 0.9218 | 92.18% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.6750 | 67.50% |
| BSEP inhibitior | + | 0.9519 | 95.19% |
| P-glycoprotein inhibitior | + | 0.7835 | 78.35% |
| P-glycoprotein substrate | - | 0.5090 | 50.90% |
| CYP3A4 substrate | + | 0.6306 | 63.06% |
| CYP2C9 substrate | - | 0.7861 | 78.61% |
| CYP2D6 substrate | - | 0.8789 | 87.89% |
| CYP3A4 inhibition | - | 0.8909 | 89.09% |
| CYP2C9 inhibition | - | 0.8338 | 83.38% |
| CYP2C19 inhibition | - | 0.8489 | 84.89% |
| CYP2D6 inhibition | - | 0.9258 | 92.58% |
| CYP1A2 inhibition | - | 0.6705 | 67.05% |
| CYP2C8 inhibition | + | 0.5615 | 56.15% |
| CYP inhibitory promiscuity | - | 0.8656 | 86.56% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 0.9500 | 95.00% |
| Carcinogenicity (trinary) | Non-required | 0.6234 | 62.34% |
| Eye corrosion | - | 0.9889 | 98.89% |
| Eye irritation | - | 0.9404 | 94.04% |
| Skin irritation | - | 0.7960 | 79.60% |
| Skin corrosion | - | 0.9383 | 93.83% |
| Ames mutagenesis | - | 0.5400 | 54.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.3875 | 38.75% |
| Micronuclear | - | 0.5400 | 54.00% |
| Hepatotoxicity | - | 0.5500 | 55.00% |
| skin sensitisation | - | 0.8664 | 86.64% |
| Respiratory toxicity | - | 0.5444 | 54.44% |
| Reproductive toxicity | + | 0.7556 | 75.56% |
| Mitochondrial toxicity | + | 0.8250 | 82.50% |
| Nephrotoxicity | - | 0.5927 | 59.27% |
| Acute Oral Toxicity (c) | III | 0.6525 | 65.25% |
| Estrogen receptor binding | + | 0.7935 | 79.35% |
| Androgen receptor binding | + | 0.7254 | 72.54% |
| Thyroid receptor binding | + | 0.6477 | 64.77% |
| Glucocorticoid receptor binding | + | 0.7147 | 71.47% |
| Aromatase binding | + | 0.6549 | 65.49% |
| PPAR gamma | + | 0.6362 | 63.62% |
| Honey bee toxicity | - | 0.8961 | 89.61% |
| Biodegradation | - | 0.8750 | 87.50% |
| Crustacea aquatic toxicity | - | 0.7500 | 75.00% |
| Fish aquatic toxicity | + | 0.6667 | 66.67% |
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 | 97.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.42% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.38% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.10% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.42% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.05% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.71% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.24% | 91.49% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 87.99% | 91.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.44% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.82% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.75% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.10% | 93.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.54% | 85.14% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.04% | 89.63% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.50% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.47% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.07% | 97.50% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 82.83% | 92.51% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 82.18% | 98.33% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.04% | 93.04% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.63% | 96.90% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.60% | 94.00% |
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 | 24879218 |
| LOTUS | LTS0171390 |
| wikiData | Q75063246 |