Silane, trichloroeicosyl-
| Internal ID | 204ebaa3-1152-4562-a432-51bae93d3098 |
| Taxonomy | Organometallic compounds > Organometalloid compounds > Organosilicon compounds > Organoheterosilanes > Organochlorosilanes |
| IUPAC Name | trichloro(icosyl)silane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H41Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h2-20H2,1H3 |
| InChI Key | JIWLOZPAQDZWQN-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H41Cl3Si |
| Molecular Weight | 416.00 g/mol |
| Exact Mass | 414.204311 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 0.00 |
| Atomic LogP (AlogP) | 9.68 |
| H-Bond Acceptor | 0 |
| H-Bond Donor | 0 |
| Rotatable Bonds | 19 |
| Silane, trichloroeicosyl- |
| Eicosyltrichlorosilane |
| EINECS 242-545-9 |
| DTXSID30885069 |
| RefChem:885278 |
| DTXCID601024473 |
| trichloro(icosyl)silane |
| n-eicosyltrichlorosilane |
| MFCD00053186 |
| Silane,trichloroeicosyl- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9802 | 98.02% |
| Caco-2 | + | 0.5512 | 55.12% |
| Blood Brain Barrier | + | 0.9000 | 90.00% |
| Human oral bioavailability | - | 0.5286 | 52.86% |
| Subcellular localzation | Mitochondria | 0.6193 | 61.93% |
| OATP2B1 inhibitior | - | 0.8550 | 85.50% |
| OATP1B1 inhibitior | + | 0.9558 | 95.58% |
| OATP1B3 inhibitior | + | 0.9410 | 94.10% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 0.8750 | 87.50% |
| BSEP inhibitior | - | 0.6987 | 69.87% |
| P-glycoprotein inhibitior | - | 0.8210 | 82.10% |
| P-glycoprotein substrate | - | 0.8726 | 87.26% |
| CYP3A4 substrate | - | 0.6825 | 68.25% |
| CYP2C9 substrate | - | 0.8216 | 82.16% |
| CYP2D6 substrate | - | 0.7544 | 75.44% |
| CYP3A4 inhibition | - | 0.9484 | 94.84% |
| CYP2C9 inhibition | - | 0.8078 | 80.78% |
| CYP2C19 inhibition | - | 0.7048 | 70.48% |
| CYP2D6 inhibition | - | 0.8689 | 86.89% |
| CYP1A2 inhibition | - | 0.5481 | 54.81% |
| CYP2C8 inhibition | - | 0.8916 | 89.16% |
| CYP inhibitory promiscuity | - | 0.7822 | 78.22% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | + | 0.5078 | 50.78% |
| Carcinogenicity (trinary) | Non-required | 0.6598 | 65.98% |
| Eye corrosion | + | 0.9858 | 98.58% |
| Eye irritation | + | 0.8740 | 87.40% |
| Skin irritation | - | 0.5243 | 52.43% |
| Skin corrosion | + | 0.8774 | 87.74% |
| Ames mutagenesis | - | 0.9200 | 92.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6712 | 67.12% |
| Micronuclear | - | 0.7400 | 74.00% |
| Hepatotoxicity | + | 0.8158 | 81.58% |
| skin sensitisation | + | 0.5608 | 56.08% |
| Respiratory toxicity | - | 0.8444 | 84.44% |
| Reproductive toxicity | - | 0.6648 | 66.48% |
| Mitochondrial toxicity | - | 0.8000 | 80.00% |
| Nephrotoxicity | + | 0.6354 | 63.54% |
| Acute Oral Toxicity (c) | III | 0.5174 | 51.74% |
| Estrogen receptor binding | - | 0.4741 | 47.41% |
| Androgen receptor binding | - | 0.8742 | 87.42% |
| Thyroid receptor binding | - | 0.6253 | 62.53% |
| Glucocorticoid receptor binding | - | 0.6933 | 69.33% |
| Aromatase binding | - | 0.5431 | 54.31% |
| PPAR gamma | - | 0.6347 | 63.47% |
| Honey bee toxicity | - | 0.9854 | 98.54% |
| Biodegradation | + | 0.5750 | 57.50% |
| Crustacea aquatic toxicity | + | 0.7709 | 77.09% |
| Fish aquatic toxicity | + | 0.9933 | 99.33% |
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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.93% | 89.63% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 93.68% | 87.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.29% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.08% | 92.86% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 91.32% | 90.24% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.26% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.15% | 98.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.47% | 91.81% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.44% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.02% | 97.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.12% | 95.17% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 83.62% | 94.55% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.28% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.98% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.97% | 83.82% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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