(7R)-7-methyltridec-1-ene
| Internal ID | 86573636-a3dc-4892-860b-ec15040d6182 |
| Taxonomy | Hydrocarbons > Unsaturated hydrocarbons > Unsaturated aliphatic hydrocarbons |
| IUPAC Name | (7R)-7-methyltridec-1-ene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H28/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h4,14H,1,5-13H2,2-3H3/t14-/m0/s1 |
| InChI Key | HZSJHISOCNQQFB-AWEZNQCLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H28 |
| Molecular Weight | 196.37 g/mol |
| Exact Mass | 196.219100893 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 7.60 |
| Atomic LogP (AlogP) | 5.34 |
| H-Bond Acceptor | 0 |
| H-Bond Donor | 0 |
| Rotatable Bonds | 10 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9907 | 99.07% |
| Caco-2 | + | 0.9343 | 93.43% |
| Blood Brain Barrier | + | 0.9750 | 97.50% |
| Human oral bioavailability | - | 0.5286 | 52.86% |
| Subcellular localzation | Lysosomes | 0.5053 | 50.53% |
| OATP2B1 inhibitior | - | 0.8469 | 84.69% |
| OATP1B1 inhibitior | + | 0.9393 | 93.93% |
| OATP1B3 inhibitior | + | 0.9290 | 92.90% |
| MATE1 inhibitior | - | 0.9400 | 94.00% |
| OCT2 inhibitior | - | 0.7750 | 77.50% |
| BSEP inhibitior | - | 0.6694 | 66.94% |
| P-glycoprotein inhibitior | - | 0.9544 | 95.44% |
| P-glycoprotein substrate | - | 0.8822 | 88.22% |
| CYP3A4 substrate | - | 0.6320 | 63.20% |
| CYP2C9 substrate | - | 0.8110 | 81.10% |
| CYP2D6 substrate | - | 0.7415 | 74.15% |
| CYP3A4 inhibition | - | 0.9785 | 97.85% |
| CYP2C9 inhibition | - | 0.9181 | 91.81% |
| CYP2C19 inhibition | - | 0.9245 | 92.45% |
| CYP2D6 inhibition | - | 0.9367 | 93.67% |
| CYP1A2 inhibition | - | 0.5167 | 51.67% |
| CYP2C8 inhibition | - | 0.9382 | 93.82% |
| CYP inhibitory promiscuity | - | 0.7236 | 72.36% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.5800 | 58.00% |
| Carcinogenicity (trinary) | Non-required | 0.5688 | 56.88% |
| Eye corrosion | + | 0.9745 | 97.45% |
| Eye irritation | + | 0.9428 | 94.28% |
| Skin irritation | + | 0.8056 | 80.56% |
| Skin corrosion | - | 0.9888 | 98.88% |
| Ames mutagenesis | - | 1.0000 | 100.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5000 | 50.00% |
| Micronuclear | - | 1.0000 | 100.00% |
| Hepatotoxicity | - | 0.5724 | 57.24% |
| skin sensitisation | + | 0.9672 | 96.72% |
| Respiratory toxicity | - | 0.6111 | 61.11% |
| Reproductive toxicity | - | 1.0000 | 100.00% |
| Mitochondrial toxicity | - | 1.0000 | 100.00% |
| Nephrotoxicity | + | 0.5170 | 51.70% |
| Acute Oral Toxicity (c) | III | 0.7993 | 79.93% |
| Estrogen receptor binding | - | 0.9019 | 90.19% |
| Androgen receptor binding | - | 0.8550 | 85.50% |
| Thyroid receptor binding | - | 0.6559 | 65.59% |
| Glucocorticoid receptor binding | - | 0.7394 | 73.94% |
| Aromatase binding | - | 0.8712 | 87.12% |
| PPAR gamma | - | 0.7316 | 73.16% |
| Honey bee toxicity | - | 0.9561 | 95.61% |
| Biodegradation | + | 0.6500 | 65.00% |
| Crustacea aquatic toxicity | + | 0.7700 | 77.00% |
| Fish aquatic toxicity | + | 0.9959 | 99.59% |
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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.14% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.63% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.41% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.86% | 85.94% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 93.26% | 87.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.36% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.87% | 89.63% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 91.31% | 85.40% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.24% | 90.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.43% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.08% | 99.17% |
| CHEMBL240 | Q12809 | HERG | 89.99% | 89.76% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.11% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.01% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.75% | 91.81% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.51% | 97.79% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.39% | 96.47% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.49% | 98.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.21% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.24% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.51% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.26% | 94.73% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.04% | 96.00% |
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 | 163104371 |
| LOTUS | LTS0025206 |
| wikiData | Q105035846 |