5,9-dihydroxy-3,7-dimethoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one
| Internal ID | edb37451-617d-4daa-b516-a320a26b50ca |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 5,9-dihydroxy-3,7-dimethoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one |
| SMILES (Canonical) | CC1(CC2C(CO1)C(=O)C3=C(C2O)C=C(C=C3O)OC)OC |
| SMILES (Isomeric) | CC1(CC2C(CO1)C(=O)C3=C(C2O)C=C(C=C3O)OC)OC |
| InChI | InChI=1S/C16H20O6/c1-16(21-3)6-10-11(7-22-16)15(19)13-9(14(10)18)4-8(20-2)5-12(13)17/h4-5,10-11,14,17-18H,6-7H2,1-3H3 |
| InChI Key | VMMAWQXIQXLFRX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20O6 |
| Molecular Weight | 308.33 g/mol |
| Exact Mass | 308.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 5,9-dihydroxy-3,7-dimethoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/59-dihydroxy-37-dimethoxy-3-methyl-44a510a-tetrahydro-1h-benzogisochromen-10-one.jpg "2D Structure of 5,9-dihydroxy-3,7-dimethoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-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 | 99.26% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.20% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.46% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.70% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.16% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.09% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.21% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.94% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.57% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.80% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.00% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.61% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.41% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.01% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.89% | 97.14% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.85% | 92.68% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.81% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.51% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.81% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.44% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.33% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.22% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.85% | 95.93% |
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.
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| There are no matching plants. |
| PubChem | 85273690 |
| LOTUS | LTS0222922 |
| wikiData | Q104199595 |