(3S,13Z,15Z)-16-chlorohexadeca-13,15-dien-9,11-diyn-3-ol
| Internal ID | 3b3a69b2-3852-4876-8bd0-34616c9c76e7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (3S,13Z,15Z)-16-chlorohexadeca-13,15-dien-9,11-diyn-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H21ClO/c1-2-16(18)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h9,11,13,15-16,18H,2,6,8,10,12,14H2,1H3/b11-9-,15-13-/t16-/m0/s1 |
| InChI Key | SSHSSJUSRDYXMD-ZJMWJAHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H21ClO |
| Molecular Weight | 264.79 g/mol |
| Exact Mass | 264.1280930 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.68% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.63% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.06% | 90.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.28% | 98.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.25% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.76% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.03% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.52% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.11% | 99.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.73% | 97.47% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.09% | 87.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.13% | 92.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.02% | 94.45% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.44% | 98.35% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.02% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 162860914 |
| LOTUS | LTS0072445 |
| wikiData | Q105259665 |