6-[(7S)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one
| Internal ID | 074f1c80-9d49-4ef8-9a44-5840d1a58685 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 6-[(7S)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H18O6/c1-2-3-9-4-13(21)18-12(5-10(19)6-14(18)22)17(9)15-7-11(20)8-16(23)24-15/h4,7-8,10,19-21H,2-3,5-6H2,1H3/t10-/m0/s1 |
| InChI Key | IJTJWRLJKDGQIG-JTQLQIEISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 6-[(7S)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-7s-47-dihydroxy-5-oxo-2-propyl-78-dihydro-6h-naphthalen-1-yl-4-hydroxypyran-2-one.jpg "2D Structure of 6-[(7S)-4,7-dihydroxy-5-oxo-2-propyl-7,8-dihydro-6H-naphthalen-1-yl]-4-hydroxypyran-2-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 | 99.19% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.01% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.42% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.14% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.04% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.65% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.63% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.21% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.83% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.00% | 92.68% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.38% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.07% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.64% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.87% | 99.17% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.61% | 96.37% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.54% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.79% | 95.93% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.11% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.00% | 95.89% |
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 | 163040060 |
| LOTUS | LTS0209352 |
| wikiData | Q105114118 |