Heptadeca-2,9,16-trien-4,6-diyn-8-ol
| Internal ID | ca7be405-55ac-43a3-a57a-ead64f7ae764 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | heptadeca-2,9,16-trien-4,6-diyn-8-ol |
| SMILES (Canonical) | CC=CC#CC#CC(C=CCCCCCC=C)O |
| SMILES (Isomeric) | CC=CC#CC#CC(C=CCCCCCC=C)O |
| InChI | InChI=1S/C17H22O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3-4,6,14,16-18H,1,5,7,9-10,12H2,2H3 |
| InChI Key | BVVCAUWTOOENBU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H22O |
| Molecular Weight | 242.36 g/mol |
| Exact Mass | 242.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.90 |
| 13894-72-9 |
| 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 | 91.42% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.22% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.72% | 99.17% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 88.32% | 95.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.64% | 94.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.29% | 95.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.06% | 87.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.11% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.77% | 97.29% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.61% | 93.99% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 81.33% | 95.92% |
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.
| Miyamayomena koraiensis |
| PubChem | 75072244 |
| LOTUS | LTS0185511 |
| wikiData | Q104946889 |