(3R)-3-methyloctane
| Internal ID | fc2362b5-ac4e-490d-a9cd-7c4a564c25a5 |
| Taxonomy | Hydrocarbons > Saturated hydrocarbons > Alkanes > Branched alkanes |
| IUPAC Name | (3R)-3-methyloctane |
| SMILES (Canonical) | CCCCCC(C)CC |
| SMILES (Isomeric) | CCCCC[C@H](C)CC |
| InChI | InChI=1S/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3/t9-/m1/s1 |
| InChI Key | SEEOMASXHIJCDV-SECBINFHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H20 |
| Molecular Weight | 128.25 g/mol |
| Exact Mass | 128.156500638 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.40% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.73% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.29% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.13% | 97.29% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.58% | 93.31% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.37% | 89.63% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.94% | 87.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.86% | 85.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.52% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.46% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.40% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.19% | 91.81% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 85.00% | 90.24% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.02% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.82% | 99.17% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 25021965 |
| LOTUS | LTS0218450 |
| wikiData | Q105251060 |