2,6-Dimethoxyquinone
| Internal ID | d5e89792-b994-45b6-8b09-70056378861e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
| IUPAC Name | 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | COC1=CC(=O)C=C(C1=O)OC |
| SMILES (Isomeric) | COC1=CC(=O)C=C(C1=O)OC |
| InChI | InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3 |
| InChI Key | OLBNOBQOQZRLMP-UHFFFAOYSA-N |
| Popularity | 323 references in papers |
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.15 g/mol |
| Exact Mass | 168.04225873 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | -0.10 |
| 530-55-2 |
| 2,6-Dimethoxy-p-benzoquinone |
| 2,6-Dimethoxyquinone |
| 2,6-Dimethoxybenzoquinone |
| 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione |
| 2,6-Dimethoxy-p-quinone |
| 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy- |
| DMBQ |
| NSC 24500 |
| 2,6-Dimethoxysemiquinone anions |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4096 | P04637 | Cellular tumor antigen p53 |
15848.9 nM 31622.8 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 |
25118.9 nM 25118.9 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1293226 | B2RXH2 | Lysine-specific demethylase 4D-like |
17782.8 nM |
Potency |
via CMAUP
|
| CHEMBL4040 | P28482 | MAP kinase ERK2 |
28183.8 nM |
Potency |
via CMAUP
|
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
7943.3 nM 10000 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1741200 | Q2TB90 | Putative hexokinase HKDC1 |
2490 nM 3540 nM |
IC50 IC50 |
via CMAUP
via CMAUP |
| CHEMBL1293232 | Q16637 | Survival motor neuron protein |
25118.9 nM |
Potency |
via CMAUP
|
| CHEMBL1293227 | O75604 | Ubiquitin carboxyl-terminal hydrolase 2 |
7943.3 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.02% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.87% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.52% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.00% | 96.00% |
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.
| PubChem | 68262 |
| NPASS | NPC110396 |
| ChEMBL | CHEMBL448515 |
| LOTUS | LTS0097421 |
| wikiData | Q4596807 |