8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-10-hydroxy-3-methyl-1-propyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione
| Internal ID | 9384fc45-fe2a-48aa-9657-fdc3d63ea715 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones > Naphthopyranone glycosides |
| IUPAC Name | 8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-10-hydroxy-3-methyl-1-propyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26O8/c1-3-4-14-16-10(5-9(2)29-14)6-11-13(24)7-12(18(25)17(11)20(16)27)22-21(28)19(26)15(8-23)30-22/h6-7,9,14-15,19,21-23,26-28H,3-5,8H2,1-2H3 |
| InChI Key | KKFVOJHDMMTCDA-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H26O8 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-10-hydroxy-3-methyl-1-propyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/518906c0-8701-11ee-818d-9d8a84329b47.jpg "2D Structure of 8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-10-hydroxy-3-methyl-1-propyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.25% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.47% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.66% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.56% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.82% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.61% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.35% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.23% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.96% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.65% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.83% | 100.00% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 87.63% | 98.46% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.04% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.03% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.82% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.45% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.38% | 97.25% |
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 | 163076180 |
| LOTUS | LTS0175737 |
| wikiData | Q105142183 |