8-(9,10-Dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one
| Internal ID | bc395a1d-4b3c-41cc-901b-e2e5834e5b96 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 8-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one |
| SMILES (Canonical) | CC1CC2=C(C(=C3C(=C2)C=C(C(=C3O)C4=C(C5=C(C6=C(CC(OC6=O)C)C=C5C=C4OC)O)O)OC)O)C(=O)O1 |
| SMILES (Isomeric) | CC1CC2=C(C(=C3C(=C2)C=C(C(=C3O)C4=C(C5=C(C6=C(CC(OC6=O)C)C=C5C=C4OC)O)O)OC)O)C(=O)O1 |
| InChI | InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3 |
| InChI Key | CJKYODJTBJDEJI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O10 |
| Molecular Weight | 546.50 g/mol |
| Exact Mass | 546.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 6.30 |
| 8-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one |
| 9,9',10,10'-Tetrahydroxy-7,7'-dimethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-[8,8'-binaphtho[2,3-c]pyran]-1,1'-dione |
![2D Structure of 8-(9,10-Dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/679ee970-855a-11ee-97f1-4b7c61a91b7e.jpg "2D Structure of 8-(9,10-Dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[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 | 99.17% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.28% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.99% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.68% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.72% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.14% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.90% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.90% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.31% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.78% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.26% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.44% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.16% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.99% | 96.21% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.91% | 96.00% |
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 bromelioides |
| PubChem | 11962163 |
| LOTUS | LTS0063946 |
| wikiData | Q77368498 |