Dec-4-yne-3,6-diol
| Internal ID | c7428a5b-bd78-43b8-8ed9-9b5f17b7f793 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | dec-4-yne-3,6-diol |
| SMILES (Canonical) | CCCCC(C#CC(CC)O)O |
| SMILES (Isomeric) | CCCCC(C#CC(CC)O)O |
| InChI | InChI=1S/C10H18O2/c1-3-5-6-10(12)8-7-9(11)4-2/h9-12H,3-6H2,1-2H3 |
| InChI Key | JDSDERGMFLUIDY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.25 g/mol |
| Exact Mass | 170.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 1.70 |
| 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 | 94.12% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.41% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.13% | 92.86% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.05% | 93.31% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.06% | 97.29% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.46% | 98.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.31% | 90.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.17% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.17% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.56% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.33% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.63% | 96.95% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 82.41% | 95.93% |
| CHEMBL268 | P43235 | Cathepsin K | 82.24% | 96.85% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.39% | 85.94% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.66% | 95.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.30% | 97.79% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.01% | 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.
| Clematis chinensis |
| Clematis stans |
| Clematis tibetana |
| Clematis vitalba |
| Eriocapitella hupehensis |
| Ipomoea purpurea |
| PubChem | 85106690 |
| LOTUS | LTS0072019 |
| wikiData | Q105211157 |