(4R)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-2,3-dimethylnaphthalen-1-one
| Internal ID | 7291b42c-624a-4dc3-93db-9ca8e831e880 |
| Taxonomy | Benzenoids > Naphthalenes |
| IUPAC Name | (4R)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-2,3-dimethylnaphthalen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O6/c1-11-12(2)21(23,13-5-6-16-19(7-13)27-10-26-16)15-9-18(25-4)17(24-3)8-14(15)20(11)22/h5-9,23H,10H2,1-4H3/t21-/m0/s1 |
| InChI Key | KBWLIVPYBYZFIG-NRFANRHFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 2.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.09% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.16% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.46% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.93% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.66% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.12% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.02% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.50% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.01% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.90% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.08% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.02% | 82.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.78% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.66% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.42% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.32% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.86% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.07% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.24% | 99.23% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.25% | 90.24% |
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.
| Virola sebifera |
| PubChem | 163047237 |
| LOTUS | LTS0081343 |
| wikiData | Q105138571 |