(3S,8Z,10R)-heptadeca-1,8-dien-4,6-diyne-3,10-diol
| Internal ID | 9cea4173-a46d-4352-8d8a-c31404bc9d25 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (3S,8Z,10R)-heptadeca-1,8-dien-4,6-diyne-3,10-diol |
| SMILES (Canonical) | CCCCCCCC(C=CC#CC#CC(C=C)O)O |
| SMILES (Isomeric) | CCCCCCC[C@H](/C=C\C#CC#C[C@H](C=C)O)O |
| InChI | InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12-/t16-,17+/m0/s1 |
| InChI Key | DSVMWGREWREVQQ-IDDMRKIPSA-N |
| Popularity | 0 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 | 4.30 |
| 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 | 95.68% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.25% | 85.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.83% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.73% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.55% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.50% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.00% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 91.59% | 91.81% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.43% | 87.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.51% | 95.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.19% | 89.63% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.10% | 83.82% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.64% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.42% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.79% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.26% | 90.17% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 82.70% | 95.93% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.66% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.44% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.35% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.21% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.99% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.34% | 94.73% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.18% | 98.03% |
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.
| Aegopodium podagraria |
| PubChem | 163087490 |
| LOTUS | LTS0081590 |
| wikiData | Q104988054 |