1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)-
| Internal ID | 508a71bc-dc72-4a16-9308-81a797a13296 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (3S,8S)-heptadeca-1,9-dien-4,6-diyne-3,8-diol |
| SMILES (Canonical) | CCCCCCCC=CC(C#CC#CC(C=C)O)O |
| SMILES (Isomeric) | CCCCCCCC=C[C@@H](C#CC#C[C@H](C=C)O)O |
| InChI | InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17-/m0/s1 |
| InChI Key | QWCNQXNAFCBLLV-IRXDYDNUSA-N |
| Popularity | 71 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 | 4.40 |
| 55297-87-5 |
| (3S,8S)-heptadeca-1,9-dien-4,6-diyne-3,8-diol |
| 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 | 95.32% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.18% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.82% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.49% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.17% | 92.86% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.32% | 87.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.57% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.84% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.10% | 91.81% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.82% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.72% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.65% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.97% | 93.31% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.84% | 97.79% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.40% | 95.58% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.02% | 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.
| Angelica sinensis |
| Heracleum moellendorffii |
| Oplopanax horridus |
| PubChem | 73128 |
| LOTUS | LTS0144952 |
| wikiData | Q105229094 |