(2S,4E,8E,10E,12E)-2-[(1S,2R,3R,4R,6S,7R)-1-tetracyclo[4.3.0.02,4.03,7]non-8-enyl]pentadeca-4,8,10,12-tetraenoic acid
| Internal ID | c71dfb72-d22f-47e1-b868-18b70e632a32 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (2S,4E,8E,10E,12E)-2-[(1S,2R,3R,4R,6S,7R)-1-tetracyclo[4.3.0.02,4.03,7]non-8-enyl]pentadeca-4,8,10,12-tetraenoic acid |
| SMILES (Canonical) | CCC=CC=CC=CCCC=CCC(C(=O)O)C12C=CC3C1CC4C3C24 |
| SMILES (Isomeric) | CC/C=C/C=C/C=C/CC/C=C/C[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/C24H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23(25)26)24-15-14-17-20(24)16-18-21(17)22(18)24/h3-8,11-12,14-15,17-22H,2,9-10,13,16H2,1H3,(H,25,26)/b4-3+,6-5+,8-7+,12-11+/t17-,18+,19+,20-,21-,22+,24-/m0/s1 |
| InChI Key | TVVSGJJGORSLDY-WGTHVNLLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O2 |
| Molecular Weight | 350.50 g/mol |
| Exact Mass | 350.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (2S,4E,8E,10E,12E)-2-[(1S,2R,3R,4R,6S,7R)-1-tetracyclo[4.3.0.02,4.03,7]non-8-enyl]pentadeca-4,8,10,12-tetraenoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8330e310-85eb-11ee-8f14-b7a6e1519eae.jpg "2D Structure of (2S,4E,8E,10E,12E)-2-[(1S,2R,3R,4R,6S,7R)-1-tetracyclo[4.3.0.02,4.03,7]non-8-enyl]pentadeca-4,8,10,12-tetraenoic 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 | 98.21% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.44% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.41% | 96.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.72% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.96% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.53% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.90% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.57% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.18% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.32% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.99% | 94.45% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.69% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.97% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.83% | 98.95% |
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 | 163031963 |
| LOTUS | LTS0122319 |
| wikiData | Q105265579 |