Calanquinone A
| Internal ID | ca89957d-41ff-48b0-b54d-73a43608e0c1 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | 5-hydroxy-3,6,7-trimethoxyphenanthrene-1,4-dione |
| SMILES (Canonical) | COC1=CC(=O)C2=C(C1=O)C3=C(C(=C(C=C3C=C2)OC)OC)O |
| SMILES (Isomeric) | COC1=CC(=O)C2=C(C1=O)C3=C(C(=C(C=C3C=C2)OC)OC)O |
| InChI | InChI=1S/C17H14O6/c1-21-11-7-10(18)9-5-4-8-6-12(22-2)17(23-3)16(20)13(8)14(9)15(11)19/h4-7,20H,1-3H3 |
| InChI Key | SSUYXMUVFIRPDJ-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.50 |
| CHEMBL468863 |
| 5-hydroxy-3,6,7-trimethoxyphenanthrene-1,4-dione |
| 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 | 96.08% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.66% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.87% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.25% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.50% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.46% | 91.49% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 89.88% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.81% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.28% | 90.20% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.68% | 89.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.06% | 80.78% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.05% | 93.99% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.94% | 92.68% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.46% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.40% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.03% | 90.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.68% | 94.42% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.34% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.95% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.16% | 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.
To see more specific details click the taxa you are interested in.
| Calanthe arisanensis |
| PubChem | 25195268 |
| LOTUS | LTS0229095 |
| wikiData | Q105259946 |