Merochlorin E
| Internal ID | ac62952b-403b-4caf-af63-cff64b4494b2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin K compounds |
| IUPAC Name | (2R,3S)-3-chloro-2,5,7-trihydroxy-3-methyl-2-[3-methyl-2-[[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl]but-2-enyl]naphthalene-1,4-dione |
| SMILES (Canonical) | CC1=CCCC(C1CC(=C(C)C)CC2(C(=O)C3=C(C(=CC(=C3)O)O)C(=O)C2(C)Cl)O)(C)C |
| SMILES (Isomeric) | CC1=CCCC([C@@H]1CC(=C(C)C)C[C@]2(C(=O)C3=C(C(=CC(=C3)O)O)C(=O)[C@@]2(C)Cl)O)(C)C |
| InChI | InChI=1S/C26H33ClO5/c1-14(2)16(10-19-15(3)8-7-9-24(19,4)5)13-26(32)22(30)18-11-17(28)12-20(29)21(18)23(31)25(26,6)27/h8,11-12,19,28-29,32H,7,9-10,13H2,1-6H3/t19-,25-,26-/m1/s1 |
| InChI Key | QYGRDYUHWNHSEG-WGURPXDASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H33ClO5 |
| Molecular Weight | 461.00 g/mol |
| Exact Mass | 460.2016518 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 6.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.57% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.01% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.40% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.69% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.56% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.43% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.34% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.00% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.66% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.36% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.86% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.27% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.65% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.15% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.25% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 146683231 |
| LOTUS | LTS0062293 |
| wikiData | Q105230129 |