5-(2,10-Dihydroxy-5,9,11-trimethyltrideca-5,7,11-trienyl)-2-hydroxy-2,4-dimethylfuran-3-one
| Internal ID | da65a4e7-ec90-472f-bcdc-bd6b29a81f32 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 5-(2,10-dihydroxy-5,9,11-trimethyltrideca-5,7,11-trienyl)-2-hydroxy-2,4-dimethylfuran-3-one |
| SMILES (Canonical) | CC=C(C)C(C(C)C=CC=C(C)CCC(CC1=C(C(=O)C(O1)(C)O)C)O)O |
| SMILES (Isomeric) | CC=C(C)C(C(C)C=CC=C(C)CCC(CC1=C(C(=O)C(O1)(C)O)C)O)O |
| InChI | InChI=1S/C22H34O5/c1-7-15(3)20(24)16(4)10-8-9-14(2)11-12-18(23)13-19-17(5)21(25)22(6,26)27-19/h7-10,16,18,20,23-24,26H,11-13H2,1-6H3 |
| InChI Key | OQJGVHFFWCZBBJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O5 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 3.80 |
| 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 | 97.69% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.85% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.45% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.82% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.15% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.52% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.09% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.93% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.20% | 96.47% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.84% | 95.58% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.17% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.05% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.57% | 94.45% |
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.
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| There are no matching plants. |
| PubChem | 72983597 |
| LOTUS | LTS0173281 |
| wikiData | Q104193622 |