beta-3,4-Dimethylheptane
| Internal ID | 984963f4-0731-4a36-ba22-cd2ed6250e9a |
| Taxonomy | Hydrocarbons > Saturated hydrocarbons > Alkanes > Branched alkanes |
| IUPAC Name | (3S,4S)-3,4-dimethylheptane |
| SMILES (Canonical) | CCCC(C)C(C)CC |
| SMILES (Isomeric) | CCC[C@H](C)[C@@H](C)CC |
| InChI | InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1 |
| InChI Key | MAKRYGRRIKSDES-IUCAKERBSA-N |
| Popularity | 0 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 |
| .beta.-3,4-dimethylheptane |
| MAKRYGRRIKSDES-IUCAKERBSA-N |
| Heptane, 3,4-dimethyl-, threo- |
| 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 | 92.06% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.59% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.62% | 97.25% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.09% | 93.31% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.88% | 97.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.99% | 93.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.82% | 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.
To see more specific details click the taxa you are interested in.
| Olea europaea |
| PubChem | 6429693 |
| LOTUS | LTS0115992 |
| wikiData | Q105160390 |