(3R,4aS,10aS)-3,6-dihydroxy-3,7,9-trimethoxy-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione
| Internal ID | ece5cac8-c139-4806-8240-09cc369e8dae |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | (3R,4aS,10aS)-3,6-dihydroxy-3,7,9-trimethoxy-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione |
| SMILES (Canonical) | COC1=CC(=C(C2=C1C(=O)C3COC(CC3C2=O)(O)OC)O)OC |
| SMILES (Isomeric) | COC1=CC(=C(C2=C1C(=O)[C@@H]3CO[C@](C[C@@H]3C2=O)(O)OC)O)OC |
| InChI | InChI=1S/C16H18O8/c1-21-9-4-10(22-2)15(19)12-11(9)14(18)8-6-24-16(20,23-3)5-7(8)13(12)17/h4,7-8,19-20H,5-6H2,1-3H3/t7-,8+,16+/m0/s1 |
| InChI Key | CMNSGXGAENGZDE-BVEWNFNHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O8 |
| Molecular Weight | 338.31 g/mol |
| Exact Mass | 338.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of (3R,4aS,10aS)-3,6-dihydroxy-3,7,9-trimethoxy-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3r4as10as-36-dihydroxy-379-trimethoxy-144a10a-tetrahydrobenzogisochromene-510-dione.jpg "2D Structure of (3R,4aS,10aS)-3,6-dihydroxy-3,7,9-trimethoxy-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione")
| 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 | 98.89% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.86% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.07% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.34% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.39% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.92% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.62% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.19% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.66% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.92% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.62% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.84% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.38% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.26% | 90.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.46% | 92.68% |
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 | 163039511 |
| LOTUS | LTS0045744 |
| wikiData | Q104964929 |