(2S,7Z,13Z,15Z)-16-chlorohexadeca-7,13,15-trien-9,11-diyn-2-ol
| Internal ID | 09a4134f-9025-42cd-8f07-7917323c9aef |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (2S,7Z,13Z,15Z)-16-chlorohexadeca-7,13,15-trien-9,11-diyn-2-ol |
| SMILES (Canonical) | CC(CCCCC=CC#CC#CC=CC=CCl)O |
| SMILES (Isomeric) | C[C@@H](CCCC/C=C\C#CC#C/C=C\C=C/Cl)O |
| InChI | InChI=1S/C16H19ClO/c1-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h4,6,9,11,13,15-16,18H,8,10,12,14H2,1H3/b6-4-,11-9-,15-13-/t16-/m0/s1 |
| InChI Key | BOMJGLVMBIPNNR-DHMPAHGFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H19ClO |
| Molecular Weight | 262.77 g/mol |
| Exact Mass | 262.1124429 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.82% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.96% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.04% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.88% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.94% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.50% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.97% | 98.75% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.74% | 87.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.03% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.62% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.49% | 95.71% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.09% | 92.86% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.71% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.45% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.27% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.22% | 94.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.51% | 92.88% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.47% | 97.47% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.00% | 92.51% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163088515 |
| LOTUS | LTS0095142 |
| wikiData | Q104939317 |