(5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione
| Internal ID | 60ecc62f-603e-4517-b6fa-752230d4e06d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione |
| SMILES (Canonical) | CC1C(C(=O)C(=C(C1=O)OC)OC)C |
| SMILES (Isomeric) | C[C@@H]1[C@H](C(=O)C(=C(C1=O)OC)OC)C |
| InChI | InChI=1S/C10H14O4/c1-5-6(2)8(12)10(14-4)9(13-3)7(5)11/h5-6H,1-4H3/t5-,6-/m1/s1 |
| InChI Key | OTGRRZBXIQUVOS-PHDIDXHHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H14O4 |
| Molecular Weight | 198.22 g/mol |
| Exact Mass | 198.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 1.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 86.77% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.61% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.45% | 96.09% |
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 | 155859146 |
| LOTUS | LTS0080886 |
| wikiData | Q105199628 |