Durissimol A
| Internal ID | f967274f-9174-42da-8e42-f29ee1cebc39 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 8-methylhexadeca-2,4-diyn-1-ol |
| SMILES (Canonical) | CCCCCCCCC(C)CCC#CC#CCO |
| SMILES (Isomeric) | CCCCCCCCC(C)CCC#CC#CCO |
| InChI | InChI=1S/C17H28O/c1-3-4-5-6-8-11-14-17(2)15-12-9-7-10-13-16-18/h17-18H,3-6,8,11-12,14-16H2,1-2H3 |
| InChI Key | XIPKJBRKFFRDDS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H28O |
| Molecular Weight | 248.40 g/mol |
| Exact Mass | 248.214015512 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 6.10 |
| 8-methylhexadeca-2,4-diyn-1-ol |
| 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 | 97.92% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.41% | 97.29% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 95.14% | 87.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.85% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.17% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.15% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.13% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.00% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.94% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.68% | 97.79% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.10% | 91.81% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.40% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.71% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.57% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.93% | 93.31% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 82.36% | 85.40% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.24% | 90.17% |
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.
| Achyranthes bidentata |
| Aralia armata |
| Aralia chinensis |
| Panax japonicus |
| Tetrapanax papyrifer |
| PubChem | 10776981 |
| LOTUS | LTS0101191 |
| wikiData | Q105216753 |