ar-Tenuifolene
| Internal ID | 5d141523-15b1-4405-85fe-a3d7dafc074a |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Toluenes |
| IUPAC Name | 1-(1,3-dimethylcyclohex-3-en-1-yl)-4-methylbenzene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20/c1-12-6-8-14(9-7-12)15(3)10-4-5-13(2)11-15/h5-9H,4,10-11H2,1-3H3 |
| InChI Key | CBJIDTHIVFGKJN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20 |
| Molecular Weight | 200.32 g/mol |
| Exact Mass | 200.156500638 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 4.50 |
| Atomic LogP (AlogP) | 4.38 |
| H-Bond Acceptor | 0 |
| H-Bond Donor | 0 |
| Rotatable Bonds | 1 |
| SCHEMBL30105632 |
| CBJIDTHIVFGKJN-UHFFFAOYSA-N |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9942 | 99.42% |
| Caco-2 | + | 0.9499 | 94.99% |
| Blood Brain Barrier | + | 0.9250 | 92.50% |
| Human oral bioavailability | + | 0.6000 | 60.00% |
| Subcellular localzation | Lysosomes | 0.3792 | 37.92% |
| OATP2B1 inhibitior | - | 0.8604 | 86.04% |
| OATP1B1 inhibitior | + | 0.9490 | 94.90% |
| OATP1B3 inhibitior | + | 0.8623 | 86.23% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.7000 | 70.00% |
| BSEP inhibitior | + | 0.5531 | 55.31% |
| P-glycoprotein inhibitior | - | 0.9773 | 97.73% |
| P-glycoprotein substrate | - | 0.9380 | 93.80% |
| CYP3A4 substrate | - | 0.5862 | 58.62% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.6990 | 69.90% |
| CYP3A4 inhibition | - | 0.8271 | 82.71% |
| CYP2C9 inhibition | - | 0.8347 | 83.47% |
| CYP2C19 inhibition | - | 0.7323 | 73.23% |
| CYP2D6 inhibition | - | 0.9240 | 92.40% |
| CYP1A2 inhibition | - | 0.8529 | 85.29% |
| CYP2C8 inhibition | - | 0.8704 | 87.04% |
| CYP inhibitory promiscuity | + | 0.6013 | 60.13% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.7300 | 73.00% |
| Carcinogenicity (trinary) | Non-required | 0.4283 | 42.83% |
| Eye corrosion | - | 0.8940 | 89.40% |
| Eye irritation | + | 0.8122 | 81.22% |
| Skin irritation | - | 0.7024 | 70.24% |
| Skin corrosion | - | 0.9802 | 98.02% |
| Ames mutagenesis | - | 0.7700 | 77.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5156 | 51.56% |
| Micronuclear | - | 0.9800 | 98.00% |
| Hepatotoxicity | + | 0.5323 | 53.23% |
| skin sensitisation | + | 0.7065 | 70.65% |
| Respiratory toxicity | - | 0.6889 | 68.89% |
| Reproductive toxicity | + | 0.5556 | 55.56% |
| Mitochondrial toxicity | - | 0.6625 | 66.25% |
| Nephrotoxicity | + | 0.7454 | 74.54% |
| Acute Oral Toxicity (c) | III | 0.8210 | 82.10% |
| Estrogen receptor binding | - | 0.8069 | 80.69% |
| Androgen receptor binding | - | 0.6137 | 61.37% |
| Thyroid receptor binding | - | 0.6928 | 69.28% |
| Glucocorticoid receptor binding | - | 0.7686 | 76.86% |
| Aromatase binding | - | 0.6252 | 62.52% |
| PPAR gamma | - | 0.6857 | 68.57% |
| Honey bee toxicity | - | 0.9469 | 94.69% |
| Biodegradation | - | 0.6500 | 65.00% |
| Crustacea aquatic toxicity | + | 0.8300 | 83.00% |
| Fish aquatic toxicity | + | 1.0000 | 100.00% |
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 |
|---|---|---|---|---|
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.01% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.78% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.23% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.94% | 94.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.57% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.72% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.29% | 90.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.27% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.19% | 97.25% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.36% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.05% | 98.95% |
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 | 11687089 |
| LOTUS | LTS0011771 |
| wikiData | Q104952427 |