9-hydroxy-10-[[(3R)-10-hydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-9-yl]oxy]-5,7-dimethoxy-3-methylbenzo[g]isochromen-1-one
| Internal ID | 9f6bb1b2-5e51-477e-83d0-597c125a3e59 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 9-hydroxy-10-[[(3R)-10-hydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-9-yl]oxy]-5,7-dimethoxy-3-methylbenzo[g]isochromen-1-one |
| SMILES (Canonical) | CC1CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)OC4=C5C(=CC(=CC5=C(C6=C4C(=O)OC(=C6)C)OC)OC)O)OC |
| SMILES (Isomeric) | C[C@@H]1CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)OC4=C5C(=CC(=CC5=C(C6=C4C(=O)OC(=C6)C)OC)OC)O)OC |
| InChI | InChI=1S/C31H26O10/c1-13-6-15-8-16-9-17(36-3)12-22(23(16)27(33)24(15)30(34)39-13)41-29-25-20(10-18(37-4)11-21(25)32)28(38-5)19-7-14(2)40-31(35)26(19)29/h7-13,32-33H,6H2,1-5H3/t13-/m1/s1 |
| InChI Key | AFCSPOKMAFUNHQ-CYBMUJFWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H26O10 |
| Molecular Weight | 558.50 g/mol |
| Exact Mass | 558.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of 9-hydroxy-10-[[(3R)-10-hydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-9-yl]oxy]-5,7-dimethoxy-3-methylbenzo[g]isochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/552e6270-8572-11ee-bace-05daa3da692b.jpg "2D Structure of 9-hydroxy-10-[[(3R)-10-hydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-9-yl]oxy]-5,7-dimethoxy-3-methylbenzo[g]isochromen-1-one")
| 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 | 99.22% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.55% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.09% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.02% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.47% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.87% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.55% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.92% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.62% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.21% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.17% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.63% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.85% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.11% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.47% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.26% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.80% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.62% | 98.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.14% | 93.65% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.54% | 96.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.31% | 91.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.88% | 91.07% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.87% | 92.68% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.75% | 92.62% |
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.
| Paepalanthus planifolius |
| PubChem | 101094603 |
| LOTUS | LTS0105110 |
| wikiData | Q104910993 |