9-(3-Methylbutoxy)nona-3,5-diyne
| Internal ID | 8a67c418-c64f-4d0b-beb0-e81a16734202 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Dialkyl ethers |
| IUPAC Name | 9-(3-methylbutoxy)nona-3,5-diyne |
| SMILES (Canonical) | CCC#CC#CCCCOCCC(C)C |
| SMILES (Isomeric) | CCC#CC#CCCCOCCC(C)C |
| InChI | InChI=1S/C14H22O/c1-4-5-6-7-8-9-10-12-15-13-11-14(2)3/h14H,4,9-13H2,1-3H3 |
| InChI Key | GTGUOHSUVINDHQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H22O |
| Molecular Weight | 206.32 g/mol |
| Exact Mass | 206.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.89% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.60% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.23% | 96.38% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.63% | 96.61% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.26% | 87.45% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.28% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.77% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.19% | 93.31% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.46% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.31% | 96.47% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.17% | 95.58% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 82.70% | 89.92% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.55% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.37% | 99.17% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 82.34% | 96.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.77% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.62% | 83.82% |
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.
| Ursinia eckloniana |
| PubChem | 163024471 |
| LOTUS | LTS0211853 |
| wikiData | Q105018667 |