Ratjadone C
| Internal ID | 354a88e0-f029-4464-bcb1-27e7edaea963 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (2R)-2-[(1E,3Z,5R,7E,9E,11R)-5-ethyl-11-hydroxy-11-[(2S,4R,5S,6S)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-methylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one |
| SMILES (Canonical) | CCC(CC=CC=CC(C1CC(C(C(O1)C=CC)C)O)O)C=C(C)C=CC2CC=CC(=O)O2 |
| SMILES (Isomeric) | CC[C@H](C/C=C/C=C/[C@H]([C@@H]1C[C@H]([C@@H]([C@@H](O1)/C=C/C)C)O)O)/C=C(/C)\C=C\[C@H]2CC=CC(=O)O2 |
| InChI | InChI=1S/C28H40O5/c1-5-11-26-21(4)25(30)19-27(33-26)24(29)14-9-7-8-12-22(6-2)18-20(3)16-17-23-13-10-15-28(31)32-23/h5,7-11,14-18,21-27,29-30H,6,12-13,19H2,1-4H3/b8-7+,11-5+,14-9+,17-16+,20-18-/t21-,22+,23+,24+,25+,26-,27-/m0/s1 |
| InChI Key | AGIKPYUAECMOAM-BJVZVNLHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H40O5 |
| Molecular Weight | 456.60 g/mol |
| Exact Mass | 456.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 5.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.22% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.08% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.42% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.65% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.61% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.02% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.52% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.59% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.06% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.26% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.22% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.11% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.93% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.10% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.49% | 99.23% |
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.
| There are no matching plants. |
| PubChem | 139586567 |
| LOTUS | LTS0215881 |
| wikiData | Q77509086 |