(2S,6E,8E,10E)-2-[(1S,2R,3R,4R,6S,7R)-1-tetracyclo[4.3.0.02,4.03,7]non-8-enyl]trideca-6,8,10-trienoic acid
| Internal ID | db82d9d6-38d0-4e41-a17a-6ec8d4fafad5 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (2S,6E,8E,10E)-2-[(1S,2R,3R,4R,6S,7R)-1-tetracyclo[4.3.0.02,4.03,7]non-8-enyl]trideca-6,8,10-trienoic acid |
| SMILES (Canonical) | CCC=CC=CC=CCCCC(C(=O)O)C12C=CC3C1CC4C3C24 |
| SMILES (Isomeric) | CC/C=C/C=C/C=C/CCC[C@H](C(=O)O)[C@@]12C=C[C@H]3[C@@H]1C[C@@H]4[C@H]3[C@H]24 |
| InChI | InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-17(21(23)24)22-13-12-15-18(22)14-16-19(15)20(16)22/h3-8,12-13,15-20H,2,9-11,14H2,1H3,(H,23,24)/b4-3+,6-5+,8-7+/t15-,16+,17+,18-,19-,20+,22-/m0/s1 |
| InChI Key | XEJKMPUDEZRWRD-RBLSWJEHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O2 |
| Molecular Weight | 324.50 g/mol |
| Exact Mass | 324.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of (2S,6E,8E,10E)-2-[(1S,2R,3R,4R,6S,7R)-1-tetracyclo[4.3.0.02,4.03,7]non-8-enyl]trideca-6,8,10-trienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8756ed60-84bd-11ee-8974-5be05b2d3bb4.jpg "2D Structure of (2S,6E,8E,10E)-2-[(1S,2R,3R,4R,6S,7R)-1-tetracyclo[4.3.0.02,4.03,7]non-8-enyl]trideca-6,8,10-trienoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.52% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.50% | 93.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.87% | 94.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.38% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.04% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.74% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.74% | 99.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.49% | 96.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.97% | 95.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.64% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.68% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.30% | 94.45% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.22% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.12% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.11% | 96.47% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.25% | 97.25% |
| CHEMBL268 | P43235 | Cathepsin K | 80.84% | 96.85% |
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.
| Cryptocarya amygdalina |
| PubChem | 163076055 |
| LOTUS | LTS0024608 |
| wikiData | Q105326381 |