7-Hydroxy-1-methoxy-3-methylcarbazole
| Internal ID | 70b05251-072e-4fb6-8feb-cc0eaf3b1514 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 8-methoxy-6-methyl-9H-carbazol-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H13NO2/c1-8-5-11-10-4-3-9(16)7-12(10)15-14(11)13(6-8)17-2/h3-7,15-16H,1-2H3 |
| InChI Key | LUZSMZYGSICZOH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.26 g/mol |
| Exact Mass | 227.094628657 g/mol |
| Topological Polar Surface Area (TPSA) | 45.30 Ų |
| XlogP | 3.40 |
| Atomic LogP (AlogP) | 3.34 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 1 |
| 107672-54-8 |
| AKOS040763302 |
| F92811 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9961 | 99.61% |
| Caco-2 | - | 0.5846 | 58.46% |
| Blood Brain Barrier | + | 0.6629 | 66.29% |
| Human oral bioavailability | - | 0.5286 | 52.86% |
| Subcellular localzation | Mitochondria | 0.5795 | 57.95% |
| OATP2B1 inhibitior | - | 0.8636 | 86.36% |
| OATP1B1 inhibitior | + | 0.8799 | 87.99% |
| OATP1B3 inhibitior | + | 0.9466 | 94.66% |
| MATE1 inhibitior | - | 0.9200 | 92.00% |
| OCT2 inhibitior | - | 0.8500 | 85.00% |
| BSEP inhibitior | - | 0.5128 | 51.28% |
| P-glycoprotein inhibitior | - | 0.8857 | 88.57% |
| P-glycoprotein substrate | - | 0.7599 | 75.99% |
| CYP3A4 substrate | - | 0.5183 | 51.83% |
| CYP2C9 substrate | - | 0.7979 | 79.79% |
| CYP2D6 substrate | - | 0.7074 | 70.74% |
| CYP3A4 inhibition | + | 0.6012 | 60.12% |
| CYP2C9 inhibition | + | 0.5625 | 56.25% |
| CYP2C19 inhibition | - | 0.6025 | 60.25% |
| CYP2D6 inhibition | - | 0.7061 | 70.61% |
| CYP1A2 inhibition | + | 0.8066 | 80.66% |
| CYP2C8 inhibition | + | 0.7714 | 77.14% |
| CYP inhibitory promiscuity | + | 0.7904 | 79.04% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 0.8833 | 88.33% |
| Carcinogenicity (trinary) | Non-required | 0.5015 | 50.15% |
| Eye corrosion | - | 0.9947 | 99.47% |
| Eye irritation | + | 0.9458 | 94.58% |
| Skin irritation | - | 0.8665 | 86.65% |
| Skin corrosion | - | 0.9498 | 94.98% |
| Ames mutagenesis | + | 0.5646 | 56.46% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4921 | 49.21% |
| Micronuclear | + | 0.7259 | 72.59% |
| Hepatotoxicity | + | 0.5802 | 58.02% |
| skin sensitisation | - | 0.8954 | 89.54% |
| Respiratory toxicity | - | 0.7111 | 71.11% |
| Reproductive toxicity | + | 0.6222 | 62.22% |
| Mitochondrial toxicity | - | 0.7500 | 75.00% |
| Nephrotoxicity | - | 0.7619 | 76.19% |
| Acute Oral Toxicity (c) | III | 0.6700 | 67.00% |
| Estrogen receptor binding | + | 0.9455 | 94.55% |
| Androgen receptor binding | + | 0.7691 | 76.91% |
| Thyroid receptor binding | + | 0.7147 | 71.47% |
| Glucocorticoid receptor binding | + | 0.8124 | 81.24% |
| Aromatase binding | + | 0.8718 | 87.18% |
| PPAR gamma | + | 0.5627 | 56.27% |
| Honey bee toxicity | - | 0.9293 | 92.93% |
| Biodegradation | - | 0.8250 | 82.50% |
| Crustacea aquatic toxicity | + | 0.7100 | 71.00% |
| Fish aquatic toxicity | - | 0.7535 | 75.35% |
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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.22% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.90% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 93.43% | 95.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.65% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.84% | 91.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.69% | 98.35% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.11% | 91.79% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.73% | 98.75% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 88.52% | 93.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.36% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.93% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.49% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.20% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.23% | 92.94% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 83.13% | 85.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.02% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.27% | 94.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.39% | 97.21% |
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 | 137955138 |
| LOTUS | LTS0095105 |
| wikiData | Q105157730 |