(Z,3R,8S)-heptadec-9-en-4,6-diyne-3,8-diol
| Internal ID | 53a206ab-65fd-4385-a21d-4df3a9d378a0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (Z,3R,8S)-heptadec-9-en-4,6-diyne-3,8-diol |
| SMILES (Canonical) | CCCCCCCC=CC(C#CC#CC(CC)O)O |
| SMILES (Isomeric) | CCCCCCC/C=C\[C@@H](C#CC#C[C@@H](CC)O)O |
| InChI | InChI=1S/C17H26O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h10,14,16-19H,3-9H2,1-2H3/b14-10-/t16-,17+/m1/s1 |
| InChI Key | CGMZKZLQZWZKJO-YWALDVPYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26O2 |
| Molecular Weight | 262.40 g/mol |
| Exact Mass | 262.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.50 |
| 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 | 95.53% | 92.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.58% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.24% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.51% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.85% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 91.62% | 89.76% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.27% | 92.08% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.22% | 87.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.76% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.27% | 91.81% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.17% | 98.03% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.91% | 95.58% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.72% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.57% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 84.98% | 96.85% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.81% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.49% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.61% | 97.79% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.87% | 89.63% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.65% | 93.31% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.57% | 90.17% |
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 |
| PubChem | 95359688 |
| LOTUS | LTS0202278 |
| wikiData | Q104957924 |