7-[(2S,4S,5R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-(hydroxymethyl)-3-methylnaphtho[3,2-b][1]benzofuran-6,11-dione
| Internal ID | 464bad38-db69-4eb8-978d-ee7aaa348c93 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 7-[(2S,4S,5R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-(hydroxymethyl)-3-methylnaphtho[3,2-b][1]benzofuran-6,11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H22O8/c1-10-6-12(9-25)18-16(7-10)32-24-20(18)22(28)13-4-3-5-15(19(13)23(24)29)31-17-8-14(26)21(27)11(2)30-17/h3-7,11,14,17,21,25-27H,8-9H2,1-2H3/t11?,14-,17-,21-/m0/s1 |
| InChI Key | PPGWJDUVLZFSGX-NIVNDVJWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H22O8 |
| Molecular Weight | 438.40 g/mol |
| Exact Mass | 438.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 7-[(2S,4S,5R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-(hydroxymethyl)-3-methylnaphtho[3,2-b][1]benzofuran-6,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9ac4f640-85e7-11ee-853e-a5c07833503f.jpg "2D Structure of 7-[(2S,4S,5R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-(hydroxymethyl)-3-methylnaphtho[3,2-b][1]benzofuran-6,11-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 | 98.69% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.81% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.71% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.70% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.04% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.76% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.85% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.82% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.77% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.94% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.78% | 97.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 90.60% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.89% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.74% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.45% | 94.80% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.67% | 95.93% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.11% | 96.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.13% | 96.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.63% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.53% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.42% | 95.17% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.93% | 96.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.81% | 98.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.62% | 96.21% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.47% | 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.
| There are no matching plants. |
| PubChem | 163157248 |
| LOTUS | LTS0167361 |
| wikiData | Q105212891 |