Xanthoradone A
| Internal ID | 3fdc2cd8-764d-4083-aeb9-8e314d1d87b3 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 6-[(3R)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H22O9/c1-10-5-14-21(15(28)9-17(35-4)23(14)29)24(30)18(10)22-16(34-3)8-13-7-12-6-11(2)36-27(33)20(12)25(31)19(13)26(22)32/h5,7-9,11,30-32H,6H2,1-4H3/t11-/m1/s1 |
| InChI Key | RCENFKWKCMTSHR-LLVKDONJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H22O9 |
| Molecular Weight | 490.50 g/mol |
| Exact Mass | 490.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 5.20 |
| 6-((3R)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo(g)isochromen-8-yl)-5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione |
| 6-[(3R)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione |
| RefChem:195175 |
| CHEBI:200610 |
| 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 | 98.62% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.58% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.19% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.56% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.14% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.22% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.09% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.78% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.36% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.68% | 85.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.12% | 96.21% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 89.45% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.54% | 92.94% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 86.57% | 95.52% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.86% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.58% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.96% | 90.71% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.86% | 96.67% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.57% | 93.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.97% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.51% | 93.99% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.30% | 91.07% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.92% | 94.42% |
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.
| There are no matching plants. |
| PubChem | 44463420 |
| LOTUS | LTS0162935 |
| wikiData | Q77279420 |