(7-methyl-6,8-dihydro-4H-indolo[4,3-fg]quinolin-9-yl)methanol
| Internal ID | 8684dc58-4181-43a7-bf44-630cefa8da25 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines |
| IUPAC Name | (7-methyl-6,8-dihydro-4H-indolo[4,3-fg]quinolin-9-yl)methanol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H16N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,17,19H,6,8-9H2,1H3 |
| InChI Key | RYVDJBDDSJGTBD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H16N2O |
| Molecular Weight | 252.31 g/mol |
| Exact Mass | 252.126263138 g/mol |
| Topological Polar Surface Area (TPSA) | 39.30 Ų |
| XlogP | 1.30 |
| Atomic LogP (AlogP) | 2.30 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 1 |
| There are no found synonyms. |
![2D Structure of (7-methyl-6,8-dihydro-4H-indolo[4,3-fg]quinolin-9-yl)methanol](https://plantaedb.com/storage/docs/compounds/2023/11/7-methyl-68-dihydro-4h-indolo43-fgquinolin-9-ylmethanol.jpg "2D Structure of (7-methyl-6,8-dihydro-4H-indolo[4,3-fg]quinolin-9-yl)methanol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9476 | 94.76% |
| Caco-2 | + | 0.6929 | 69.29% |
| Blood Brain Barrier | + | 0.9500 | 95.00% |
| Human oral bioavailability | + | 0.5143 | 51.43% |
| Subcellular localzation | Lysosomes | 0.4081 | 40.81% |
| OATP2B1 inhibitior | - | 0.7153 | 71.53% |
| OATP1B1 inhibitior | + | 0.8969 | 89.69% |
| OATP1B3 inhibitior | + | 0.9427 | 94.27% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | + | 0.7500 | 75.00% |
| BSEP inhibitior | - | 0.5511 | 55.11% |
| P-glycoprotein inhibitior | - | 0.9417 | 94.17% |
| P-glycoprotein substrate | + | 0.5339 | 53.39% |
| CYP3A4 substrate | + | 0.6023 | 60.23% |
| CYP2C9 substrate | - | 0.5969 | 59.69% |
| CYP2D6 substrate | + | 0.5413 | 54.13% |
| CYP3A4 inhibition | - | 0.8935 | 89.35% |
| CYP2C9 inhibition | - | 0.9028 | 90.28% |
| CYP2C19 inhibition | - | 0.8910 | 89.10% |
| CYP2D6 inhibition | + | 0.8428 | 84.28% |
| CYP1A2 inhibition | + | 0.8723 | 87.23% |
| CYP2C8 inhibition | - | 0.7834 | 78.34% |
| CYP inhibitory promiscuity | - | 0.8308 | 83.08% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 1.0000 | 100.00% |
| Carcinogenicity (trinary) | Non-required | 0.6279 | 62.79% |
| Eye corrosion | - | 0.9841 | 98.41% |
| Eye irritation | - | 0.9554 | 95.54% |
| Skin irritation | - | 0.7417 | 74.17% |
| Skin corrosion | - | 0.8890 | 88.90% |
| Ames mutagenesis | + | 0.7400 | 74.00% |
| Human Ether-a-go-go-Related Gene inhibition | + | 0.6773 | 67.73% |
| Micronuclear | + | 0.6200 | 62.00% |
| Hepatotoxicity | - | 0.6625 | 66.25% |
| skin sensitisation | - | 0.8379 | 83.79% |
| Respiratory toxicity | + | 0.9333 | 93.33% |
| Reproductive toxicity | + | 0.9222 | 92.22% |
| Mitochondrial toxicity | + | 0.9750 | 97.50% |
| Nephrotoxicity | - | 0.5822 | 58.22% |
| Acute Oral Toxicity (c) | III | 0.6000 | 60.00% |
| Estrogen receptor binding | + | 0.7309 | 73.09% |
| Androgen receptor binding | - | 0.5746 | 57.46% |
| Thyroid receptor binding | + | 0.5813 | 58.13% |
| Glucocorticoid receptor binding | + | 0.8586 | 85.86% |
| Aromatase binding | + | 0.6370 | 63.70% |
| PPAR gamma | + | 0.6775 | 67.75% |
| Honey bee toxicity | - | 0.9235 | 92.35% |
| Biodegradation | - | 0.8000 | 80.00% |
| Crustacea aquatic toxicity | + | 0.5700 | 57.00% |
| Fish aquatic toxicity | + | 0.8557 | 85.57% |
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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.39% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.19% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.91% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.84% | 97.25% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 91.15% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.25% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.50% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.33% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.16% | 95.89% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.50% | 96.25% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.97% | 91.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.58% | 95.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.05% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.85% | 93.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.63% | 97.79% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.65% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.46% | 94.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.42% | 88.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.02% | 91.49% |
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 | 21781187 |
| LOTUS | LTS0038676 |
| wikiData | Q105248151 |