LL-Z 1272 epsilon
| Internal ID | 0f66366d-57f2-42d7-a8a3-96b0114f64e4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzaldehydes > Hydroxybenzaldehydes |
| IUPAC Name | 2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]benzaldehyde |
| SMILES (Canonical) | CC1CCC(=O)C(C1(C)CCC(=CCC2=C(C=C(C(=C2O)C=O)C)O)C)C |
| SMILES (Isomeric) | CC1CCC(=O)C(C1(C)CC/C(=C/CC2=C(C=C(C(=C2O)C=O)C)O)/C)C |
| InChI | InChI=1S/C23H32O4/c1-14(10-11-23(5)16(3)7-9-20(25)17(23)4)6-8-18-21(26)12-15(2)19(13-24)22(18)27/h6,12-13,16-17,26-27H,7-11H2,1-5H3/b14-6+ |
| InChI Key | JSPPDMSCDGJJOM-MKMNVTDBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H32O4 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 5.80 |
| SCHEMBL20819717 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.89% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.32% | 91.49% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 95.96% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.85% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.40% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.86% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.04% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.72% | 100.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.88% | 96.12% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.85% | 97.09% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.06% | 93.18% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.03% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.66% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.10% | 90.71% |
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 | 56670769 |
| LOTUS | LTS0084076 |
| wikiData | Q77569278 |