Heptadeca-8,10,12-trien-4,6-diyn-1-ol
| Internal ID | 01717718-b727-4d63-a734-070763bfa0e5 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | heptadeca-8,10,12-trien-4,6-diyn-1-ol |
| SMILES (Canonical) | CCCCC=CC=CC=CC#CC#CCCCO |
| SMILES (Isomeric) | CCCCC=CC=CC=CC#CC#CCCCO |
| InChI | InChI=1S/C17H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h5-10,18H,2-4,15-17H2,1H3 |
| InChI Key | OGSBOMXZSBQDPF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O |
| Molecular Weight | 242.36 g/mol |
| Exact Mass | 242.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.80 |
| 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 | 92.81% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.17% | 99.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.21% | 87.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.88% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.27% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.32% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.76% | 94.45% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 83.57% | 95.52% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 83.12% | 96.42% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.92% | 91.81% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.41% | 95.93% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.27% | 98.35% |
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.
| Cicuta virosa |
| PubChem | 163795 |
| LOTUS | LTS0111167 |
| wikiData | Q105191806 |