(2R)-6,7-dimethoxy-2-methyl-2-(2-methylprop-1-enyl)-3H-chromen-4-one
| Internal ID | ebe15369-8e3f-47d6-8f65-3c9fd061750c |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | (2R)-6,7-dimethoxy-2-methyl-2-(2-methylprop-1-enyl)-3H-chromen-4-one |
| SMILES (Canonical) | CC(=CC1(CC(=O)C2=CC(=C(C=C2O1)OC)OC)C)C |
| SMILES (Isomeric) | CC(=C[C@]1(CC(=O)C2=CC(=C(C=C2O1)OC)OC)C)C |
| InChI | InChI=1S/C16H20O4/c1-10(2)8-16(3)9-12(17)11-6-14(18-4)15(19-5)7-13(11)20-16/h6-8H,9H2,1-5H3/t16-/m0/s1 |
| InChI Key | LLNKAHBRQQGBBK-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20O4 |
| Molecular Weight | 276.33 g/mol |
| Exact Mass | 276.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.00 |
| 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 | 97.43% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.33% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.23% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.94% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.77% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.23% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.10% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.65% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.35% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.68% | 98.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.72% | 89.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.76% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.53% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.87% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.55% | 94.00% |
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.
| Ageratum conyzoides |
| PubChem | 162903879 |
| LOTUS | LTS0083819 |
| wikiData | Q105153585 |