Rubasperone E
| Internal ID | 7a807eb1-311f-423f-b98b-4879d88ead90 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 9-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one |
| SMILES (Canonical) | CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)CC(O5)(C)O)OC)OC |
| SMILES (Isomeric) | CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)CC(O5)(C)O)OC)OC |
| InChI | InChI=1S/C32H28O11/c1-13-7-17(33)27-22(42-13)10-16-23(20(40-5)11-21(41-6)25(16)29(27)35)26-15-8-14(38-3)9-19(39-4)24(15)30(36)28-18(34)12-32(2,37)43-31(26)28/h7-11,35-37H,12H2,1-6H3 |
| InChI Key | RAYVJSGIKKHYEN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H28O11 |
| Molecular Weight | 588.60 g/mol |
| Exact Mass | 588.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 5.40 |
| 9-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one |
| 9-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo(g)chromen-10-yl)-5-hydroxy-6,8-dimethoxy-2-methylbenzo(g)chromen-4-one |
| RefChem:180150 |
| CHEBI:204305 |
| 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 | 99.61% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.88% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.95% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.89% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.69% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.18% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.10% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.24% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.88% | 92.94% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.06% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.87% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.25% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.23% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.92% | 90.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.31% | 94.42% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.45% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.34% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.55% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.34% | 97.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.95% | 93.65% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.94% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.20% | 91.07% |
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 | 56590340 |
| LOTUS | LTS0076232 |
| wikiData | Q77385058 |