Heptadeca-8,16-dien-4,6-diyne-3,10-diol
| Internal ID | ad85d3f4-606a-44cb-a6e7-dfeecefcd709 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | heptadeca-8,16-dien-4,6-diyne-3,10-diol |
| SMILES (Canonical) | CCC(C#CC#CC=CC(CCCCCC=C)O)O |
| SMILES (Isomeric) | CCC(C#CC#CC=CC(CCCCCC=C)O)O |
| InChI | InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h3,12,15-19H,1,4-7,11,14H2,2H3 |
| InChI Key | FBUIOXUTUCTUFQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O2 |
| Molecular Weight | 260.40 g/mol |
| Exact Mass | 260.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.90% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.63% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.58% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.22% | 90.17% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.59% | 97.64% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.47% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.46% | 97.29% |
| CHEMBL240 | Q12809 | HERG | 85.31% | 89.76% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.28% | 95.17% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.95% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.07% | 91.11% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.54% | 87.45% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.08% | 98.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.76% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.26% | 96.47% |
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.
| Tridax procumbens |
| PubChem | 162869544 |
| LOTUS | LTS0078938 |
| wikiData | Q104992948 |