2,4-Dimethylheptane
| Internal ID | 74834e64-42a6-4d74-bda8-5708759a94f5 |
| Taxonomy | Hydrocarbons > Saturated hydrocarbons > Alkanes > Branched alkanes |
| IUPAC Name | 2,4-dimethylheptane |
| SMILES (Canonical) | CCCC(C)CC(C)C |
| SMILES (Isomeric) | CCCC(C)CC(C)C |
| InChI | InChI=1S/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3 |
| InChI Key | AUKVIBNBLXQNIZ-UHFFFAOYSA-N |
| Popularity | 87 references 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 | 4.50 |
| 2213-23-2 |
| Heptane, 2,4-dimethyl- |
| AUKVIBNBLXQNIZ-UHFFFAOYSA- |
| CHEBI:141558 |
| DTXSID10862873 |
| Heptane, 2,4dimethyl |
| RefChem:443783 |
| DTXCID30811580 |
| 623-649-7 |
| InChI=1/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 95.10% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.39% | 93.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.94% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.11% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.72% | 96.09% |
| CHEMBL268 | P43235 | Cathepsin K | 86.49% | 96.85% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.25% | 89.63% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.16% | 98.35% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.15% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.86% | 96.61% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.60% | 99.35% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.29% | 96.47% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.33% | 83.82% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.14% | 87.45% |
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. |