(3R,4R,4aR,12bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
| Internal ID | 44cf3dfc-a088-491d-a0a5-3e220c404a16 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | (3R,4R,4aR,12bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20O8/c1-20(2)14-9(3-7(6-21)15(24)18(14)27)13-16(25)10-4-8(22)5-11(23)12(10)17(26)19(13)28-20/h3-5,9,14-15,18,21-24,27H,6H2,1-2H3/t9-,14-,15-,18-/m1/s1 |
| InChI Key | VXMGWBBELIEFKJ-POFSUORWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20O8 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (3R,4R,4aR,12bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/96ba3810-859a-11ee-aa62-33ec3ba05b13.jpg "2D Structure of (3R,4R,4aR,12bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-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 | 98.06% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.08% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.02% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.12% | 96.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.62% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.03% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.73% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.90% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.67% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.32% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.84% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.56% | 94.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.21% | 91.38% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.29% | 80.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.64% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.04% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.54% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.01% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.82% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.69% | 96.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.10% | 97.09% |
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 | 162897098 |
| LOTUS | LTS0079395 |
| wikiData | Q105298582 |