Pentadeca-1,8-diene-4,6-diyne-3,10-diol
| Internal ID | 9921751e-534e-48c8-951b-711bbf82fd4e |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | pentadeca-1,8-dien-4,6-diyne-3,10-diol |
| SMILES (Canonical) | CCCCCC(C=CC#CC#CC(C=C)O)O |
| SMILES (Isomeric) | CCCCCC(C=CC#CC#CC(C=C)O)O |
| InChI | InChI=1S/C15H20O2/c1-3-5-8-12-15(17)13-10-7-6-9-11-14(16)4-2/h4,10,13-17H,2-3,5,8,12H2,1H3 |
| InChI Key | DXXGLHOAKNZRRB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.79% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.42% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.87% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.41% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.27% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.74% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.63% | 97.25% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.98% | 92.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.82% | 91.81% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.00% | 87.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.42% | 93.31% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.93% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.79% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.89% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.38% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.94% | 100.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 81.48% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.36% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.18% | 94.73% |
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.
| Centella asiatica |
| PubChem | 129670450 |
| LOTUS | LTS0202775 |
| wikiData | Q104991248 |