Heptadeca-9,16-dien-4,6-diyne-2,3,8-triol
| Internal ID | 3d16aad5-fd20-41f8-9509-9dc85ab9b95c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | heptadeca-9,16-dien-4,6-diyne-2,3,8-triol |
| SMILES (Canonical) | CC(C(C#CC#CC(C=CCCCCCC=C)O)O)O |
| SMILES (Isomeric) | CC(C(C#CC#CC(C=CCCCCCC=C)O)O)O |
| InChI | InChI=1S/C17H24O3/c1-3-4-5-6-7-8-9-12-16(19)13-10-11-14-17(20)15(2)18/h3,9,12,15-20H,1,4-8H2,2H3 |
| InChI Key | BEZRAMBFCSSHHE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O3 |
| Molecular Weight | 276.40 g/mol |
| Exact Mass | 276.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 2.80 |
| 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 | 93.31% | 98.95% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 92.75% | 95.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.50% | 87.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.02% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.93% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.65% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.22% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.06% | 93.99% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.37% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.03% | 96.47% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.01% | 95.92% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.96% | 95.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.36% | 90.17% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.26% | 95.58% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.31% | 90.08% |
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.
| Aster koraiensis |
| PubChem | 72990989 |
| LOTUS | LTS0081934 |
| wikiData | Q104933817 |