1,2-Dimethyl-9H-carbazol-3-ol
| Internal ID | a9e81ae8-71d5-4bcc-beb0-8315f25f5ad5 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 1,2-dimethyl-9H-carbazol-3-ol |
| SMILES (Canonical) | CC1=C(C=C2C3=CC=CC=C3NC2=C1C)O |
| SMILES (Isomeric) | CC1=C(C=C2C3=CC=CC=C3NC2=C1C)O |
| InChI | InChI=1S/C14H13NO/c1-8-9(2)14-11(7-13(8)16)10-5-3-4-6-12(10)15-14/h3-7,15-16H,1-2H3 |
| InChI Key | OQPPGARCOVUTEP-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H13NO |
| Molecular Weight | 211.26 g/mol |
| Exact Mass | 211.099714038 g/mol |
| Topological Polar Surface Area (TPSA) | 36.00 Ų |
| XlogP | 3.80 |
| Atomic LogP (AlogP) | 3.64 |
| H-Bond Acceptor | 1 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 0 |
| CHEMBL3798321 |
| 3-hydroxy-1,2-dimethylcarbazole |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 1.0000 | 100.00% |
| Caco-2 | + | 0.6815 | 68.15% |
| Blood Brain Barrier | + | 0.6879 | 68.79% |
| Human oral bioavailability | + | 0.5286 | 52.86% |
| Subcellular localzation | Mitochondria | 0.6450 | 64.50% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8819 | 88.19% |
| OATP1B3 inhibitior | + | 0.9452 | 94.52% |
| MATE1 inhibitior | - | 0.9400 | 94.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.5793 | 57.93% |
| P-glycoprotein inhibitior | - | 0.9511 | 95.11% |
| P-glycoprotein substrate | - | 0.9198 | 91.98% |
| CYP3A4 substrate | - | 0.5526 | 55.26% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.6921 | 69.21% |
| CYP3A4 inhibition | - | 0.6040 | 60.40% |
| CYP2C9 inhibition | + | 0.8456 | 84.56% |
| CYP2C19 inhibition | + | 0.8063 | 80.63% |
| CYP2D6 inhibition | + | 0.7091 | 70.91% |
| CYP1A2 inhibition | + | 0.9686 | 96.86% |
| CYP2C8 inhibition | - | 0.5926 | 59.26% |
| CYP inhibitory promiscuity | + | 0.8682 | 86.82% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.8708 | 87.08% |
| Carcinogenicity (trinary) | Non-required | 0.4677 | 46.77% |
| Eye corrosion | - | 0.9945 | 99.45% |
| Eye irritation | + | 0.7353 | 73.53% |
| Skin irritation | - | 0.7864 | 78.64% |
| Skin corrosion | - | 0.9529 | 95.29% |
| Ames mutagenesis | + | 0.7100 | 71.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5813 | 58.13% |
| Micronuclear | + | 0.7959 | 79.59% |
| Hepatotoxicity | + | 0.7500 | 75.00% |
| skin sensitisation | - | 0.7538 | 75.38% |
| Respiratory toxicity | - | 0.7667 | 76.67% |
| Reproductive toxicity | + | 0.6333 | 63.33% |
| Mitochondrial toxicity | - | 0.7375 | 73.75% |
| Nephrotoxicity | - | 0.8433 | 84.33% |
| Acute Oral Toxicity (c) | III | 0.5968 | 59.68% |
| Estrogen receptor binding | + | 0.9067 | 90.67% |
| Androgen receptor binding | + | 0.6217 | 62.17% |
| Thyroid receptor binding | + | 0.7177 | 71.77% |
| Glucocorticoid receptor binding | + | 0.8767 | 87.67% |
| Aromatase binding | + | 0.8362 | 83.62% |
| PPAR gamma | + | 0.5781 | 57.81% |
| Honey bee toxicity | - | 0.9685 | 96.85% |
| Biodegradation | - | 0.7750 | 77.50% |
| Crustacea aquatic toxicity | + | 0.6800 | 68.00% |
| Fish aquatic toxicity | + | 0.7707 | 77.07% |
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 | 97.29% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.00% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.31% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.08% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.24% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.24% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.38% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.76% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.49% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.09% | 93.65% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.51% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.93% | 98.75% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 14312545 |
| LOTUS | LTS0193244 |
| wikiData | Q104193634 |