Panaquinquecol 2
| Internal ID | 889ffe4d-2b7a-4ee8-a500-ee3650a184de |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 1-(3-heptyloxiran-2-yl)oct-7-en-2,4-diyne-1,6-diol |
| SMILES (Canonical) | CCCCCCCC1C(O1)C(C#CC#CC(C=C)O)O |
| SMILES (Isomeric) | CCCCCCCC1C(O1)C(C#CC#CC(C=C)O)O |
| InChI | InChI=1S/C17H24O3/c1-3-5-6-7-8-13-16-17(20-16)15(19)12-10-9-11-14(18)4-2/h4,14-19H,2-3,5-8,13H2,1H3 |
| InChI Key | UJQVRPFUQYYCTH-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H24O3 |
| Molecular Weight | 276.40 g/mol |
| Exact Mass | 276.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 3.40 |
| 1-(3-heptyloxiran-2-yl)oct-7-en-2,4-diyne-1,6-diol |
| 9,10-Epoxy-1-heptadecene-4,6-diyne-3,8-diol |
| PQ 2 |
| CHEBI:173153 |
| DTXSID201224974 |
| LMFA05000687 |
| 1-(3-Heptyl-2-oxiranyl)-7-octene-2,4-diyne-1,6-diol |
| 1-(3-Heptyloxiranyl)-7-octene-2,4-diyne-1,6-diol, 9CI |
| 133921-58-1 |
| 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 | 93.75% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.52% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.91% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.52% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.87% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.39% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.23% | 99.17% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.07% | 95.58% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.44% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.56% | 85.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.51% | 96.61% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.61% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.02% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.50% | 83.82% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.24% | 97.79% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.49% | 93.31% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 81.98% | 90.24% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.96% | 92.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.85% | 91.81% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.72% | 92.88% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.21% | 80.33% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.28% | 95.93% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.19% | 87.45% |
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 |
| Oenanthe fistulosa |
| PubChem | 14827985 |
| LOTUS | LTS0183788 |
| wikiData | Q105274115 |