Heptadeca-1,9,11-trien-4,6-diyne-3,8-diol
| Internal ID | 509c4aea-6846-4f87-84b2-16bc76a1e615 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | heptadeca-1,9,11-trien-4,6-diyne-3,8-diol |
| SMILES (Canonical) | CCCCCC=CC=CC(C#CC#CC(C=C)O)O |
| SMILES (Isomeric) | CCCCCC=CC=CC(C#CC#CC(C=C)O)O |
| InChI | InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,8-10,14,16-19H,2-3,5-7H2,1H3 |
| InChI Key | GIOSKBFULQWJBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O2 |
| Molecular Weight | 258.35 g/mol |
| Exact Mass | 258.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.90 |
| 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 | 93.39% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.25% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.13% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.77% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.57% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.77% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.25% | 96.09% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.71% | 87.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.48% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.12% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.86% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.52% | 89.63% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.05% | 93.31% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.52% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.37% | 91.11% |
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.
| Hedera rhombea |
| PubChem | 73318791 |
| LOTUS | LTS0139565 |
| wikiData | Q105009130 |