(4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one
| Internal ID | fcf56cc3-df6e-4588-8651-7b4f1b71a11a |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one |
| SMILES (Canonical) | COC1=CC(=O)C(CC1(OC)OC2=CC(=C(C=C2CC=C)OC)OC)CC=C |
| SMILES (Isomeric) | COC1=CC(=O)[C@H](C[C@@]1(OC)OC2=CC(=C(C=C2CC=C)OC)OC)CC=C |
| InChI | InChI=1S/C22H28O6/c1-7-9-15-11-19(24-3)20(25-4)13-18(15)28-22(27-6)14-16(10-8-2)17(23)12-21(22)26-5/h7-8,11-13,16H,1-2,9-10,14H2,3-6H3/t16-,22+/m0/s1 |
| InChI Key | JYXLTLQGCJMUEX-KSFYIVLOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.70 |
| 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 | 98.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.18% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.79% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.73% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.97% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.21% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.95% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.47% | 95.89% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.88% | 92.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.66% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.57% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.52% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.29% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.44% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.91% | 96.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.06% | 96.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.60% | 97.05% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.33% | 93.40% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.20% | 96.43% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.13% | 92.97% |
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.
| Aniba lancifolia |
| PubChem | 163062195 |
| LOTUS | LTS0193909 |
| wikiData | Q105137251 |