9-methoxy-3,3,10-trimethyl-7H-pyrano[2,3-c]carbazole
| Internal ID | 3cb03144-0d03-43ae-88ba-d608e8356d93 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 9-methoxy-3,3,10-trimethyl-7H-pyrano[2,3-c]carbazole |
| SMILES (Canonical) | CC1=CC2=C(C=C1OC)NC3=C2C4=C(C=C3)OC(C=C4)(C)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1OC)NC3=C2C4=C(C=C3)OC(C=C4)(C)C |
| InChI | InChI=1S/C19H19NO2/c1-11-9-13-15(10-17(11)21-4)20-14-5-6-16-12(18(13)14)7-8-19(2,3)22-16/h5-10,20H,1-4H3 |
| InChI Key | DLWRVKRWGJSBCX-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H19NO2 |
| Molecular Weight | 293.40 g/mol |
| Exact Mass | 293.141578849 g/mol |
| Topological Polar Surface Area (TPSA) | 34.20 Ų |
| XlogP | 4.60 |
| Atomic LogP (AlogP) | 4.82 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 1 |
| There are no found synonyms. |
![2D Structure of 9-methoxy-3,3,10-trimethyl-7H-pyrano[2,3-c]carbazole](https://plantaedb.com/storage/docs/compounds/2023/11/9-methoxy-3310-trimethyl-7h-pyrano23-ccarbazole.jpg "2D Structure of 9-methoxy-3,3,10-trimethyl-7H-pyrano[2,3-c]carbazole")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9972 | 99.72% |
| Caco-2 | + | 0.6766 | 67.66% |
| Blood Brain Barrier | + | 0.7879 | 78.79% |
| Human oral bioavailability | + | 0.5429 | 54.29% |
| Subcellular localzation | Mitochondria | 0.6531 | 65.31% |
| OATP2B1 inhibitior | - | 0.8584 | 85.84% |
| OATP1B1 inhibitior | + | 0.8954 | 89.54% |
| OATP1B3 inhibitior | + | 0.9660 | 96.60% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.8500 | 85.00% |
| BSEP inhibitior | + | 0.8008 | 80.08% |
| P-glycoprotein inhibitior | - | 0.6581 | 65.81% |
| P-glycoprotein substrate | - | 0.6207 | 62.07% |
| CYP3A4 substrate | + | 0.5999 | 59.99% |
| CYP2C9 substrate | + | 0.6221 | 62.21% |
| CYP2D6 substrate | - | 0.7035 | 70.35% |
| CYP3A4 inhibition | + | 0.8008 | 80.08% |
| CYP2C9 inhibition | + | 0.5556 | 55.56% |
| CYP2C19 inhibition | + | 0.7927 | 79.27% |
| CYP2D6 inhibition | - | 0.5200 | 52.00% |
| CYP1A2 inhibition | + | 0.8838 | 88.38% |
| CYP2C8 inhibition | + | 0.5549 | 55.49% |
| CYP inhibitory promiscuity | + | 0.9145 | 91.45% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.9700 | 97.00% |
| Carcinogenicity (trinary) | Danger | 0.5164 | 51.64% |
| Eye corrosion | - | 0.9918 | 99.18% |
| Eye irritation | + | 0.7913 | 79.13% |
| Skin irritation | - | 0.8337 | 83.37% |
| Skin corrosion | - | 0.9488 | 94.88% |
| Ames mutagenesis | + | 0.6500 | 65.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.3649 | 36.49% |
| Micronuclear | + | 0.5800 | 58.00% |
| Hepatotoxicity | - | 0.5277 | 52.77% |
| skin sensitisation | - | 0.7922 | 79.22% |
| Respiratory toxicity | - | 0.5222 | 52.22% |
| Reproductive toxicity | + | 0.6222 | 62.22% |
| Mitochondrial toxicity | - | 0.5625 | 56.25% |
| Nephrotoxicity | + | 0.4628 | 46.28% |
| Acute Oral Toxicity (c) | III | 0.5947 | 59.47% |
| Estrogen receptor binding | + | 0.9584 | 95.84% |
| Androgen receptor binding | + | 0.6430 | 64.30% |
| Thyroid receptor binding | + | 0.9243 | 92.43% |
| Glucocorticoid receptor binding | + | 0.9184 | 91.84% |
| Aromatase binding | + | 0.9200 | 92.00% |
| PPAR gamma | + | 0.7688 | 76.88% |
| Honey bee toxicity | - | 0.8391 | 83.91% |
| Biodegradation | - | 0.9750 | 97.50% |
| Crustacea aquatic toxicity | + | 0.5800 | 58.00% |
| Fish aquatic toxicity | + | 0.7714 | 77.14% |
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 | 99.34% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.05% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.75% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.22% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.72% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.96% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.53% | 96.09% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 88.74% | 93.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.52% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.49% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.00% | 90.20% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.86% | 85.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.18% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.81% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.62% | 89.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.32% | 89.44% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.97% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.24% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.06% | 93.31% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.78% | 80.96% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.17% | 95.89% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.30% | 94.08% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 80.68% | 89.32% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.59% | 85.30% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.26% | 93.18% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.03% | 85.00% |
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 | 100931328 |
| LOTUS | LTS0012867 |
| wikiData | Q104984825 |