1-Heptadecene-4,6-diyne-3,9,10-triol
| Internal ID | 6cfc6ac7-8e24-469a-afba-8ba17ad88ab2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (3R,9R,10R)-heptadec-1-en-4,6-diyne-3,9,10-triol |
| SMILES (Canonical) | CCCCCCCC(C(CC#CC#CC(C=C)O)O)O |
| SMILES (Isomeric) | CCCCCCC[C@H]([C@@H](CC#CC#C[C@@H](C=C)O)O)O |
| InChI | InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,2-3,5-7,10,13-14H2,1H3/t15-,16-,17-/m1/s1 |
| InChI Key | RDIMTXDFGHNINN-BRWVUGGUSA-N |
| Popularity | 35 references in papers |
| Molecular Formula | C17H26O3 |
| Molecular Weight | 278.40 g/mol |
| Exact Mass | 278.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.50 |
| 87005-03-6 |
| (3R,9R,10R)-Heptadeca-1-en-4,6-diyne-3,9,10-triol |
| SCHEMBL12035785 |
| CHEBI:80732 |
| (3R,9R,10R)-Heptadec-1-en-4,6-diyne-3,9,10-triol |
| 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 | 95.72% | 92.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.54% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.82% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.77% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.28% | 92.08% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.96% | 87.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.77% | 99.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.36% | 97.79% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.33% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.75% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.49% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.97% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.81% | 89.63% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.71% | 95.58% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.39% | 100.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 81.85% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.74% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.30% | 91.11% |
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.
| Solanum lycopersicum |
| PubChem | 10540577 |
| LOTUS | LTS0118498 |
| wikiData | Q100152464 |