3-Methylpentacosane
| Internal ID | ab5ec977-e51b-4dcb-ad11-d93f0f1f3bc8 |
| Taxonomy | Hydrocarbons > Saturated hydrocarbons > Alkanes > Branched alkanes |
| IUPAC Name | 3-methylpentacosane |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCC(C)CC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCC(C)CC |
| InChI | InChI=1S/C26H54/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(3)5-2/h26H,4-25H2,1-3H3 |
| InChI Key | VNSJCJLDAGMPAO-UHFFFAOYSA-N |
| Popularity | 73 references in papers |
| Molecular Formula | C26H54 |
| Molecular Weight | 366.70 g/mol |
| Exact Mass | 366.422551722 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 14.00 |
| Pentacosane, 3-methyl- |
| 6902-54-1 |
| xi-3-Methylpentacosane |
| Pentacosane, 3-methyl |
| 3-Methyl-n-pentacosane |
| DTXSID60988774 |
| VNSJCJLDAGMPAO-UHFFFAOYSA-N |
| LMFA11000402 |
| 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 |
|---|---|---|---|---|
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.94% | 92.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.44% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.93% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.61% | 89.63% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.49% | 87.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.10% | 85.94% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.58% | 93.31% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.35% | 92.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.68% | 97.79% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 89.27% | 90.24% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.75% | 91.81% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.16% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.04% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.52% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.17% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.88% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.21% | 100.00% |
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.
To see more specific details click the taxa you are interested in.
| Cannabis sativa |
| Hamamelis virginiana |
| PubChem | 189001 |
| LOTUS | LTS0069517 |
| wikiData | Q82977465 |