2-[(5S,6R)-10,12-dihydroxy-5-methyl-3,8-dioxo-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-6-yl]-2-methylpropanoic acid
| Internal ID | c6b2f7ab-aaed-4b68-a4a6-2e2dd24b4133 |
| Taxonomy | Phenylpropanoids and polyketides > 3,4-dihydrocoumarins |
| IUPAC Name | 2-[(5S,6R)-10,12-dihydroxy-5-methyl-3,8-dioxo-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-6-yl]-2-methylpropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O7/c1-8(2)12-15(23)13-9(21)6-10(19(3,4)18(25)26)20(5)7-11(22)27-17(14(13)20)16(12)24/h8,10,23-24H,6-7H2,1-5H3,(H,25,26)/t10-,20-/m0/s1 |
| InChI Key | QQOYFHLAUCOYFF-FVINQWEUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O7 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 2-[(5S,6R)-10,12-dihydroxy-5-methyl-3,8-dioxo-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-6-yl]-2-methylpropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/500b2200-84e3-11ee-adf6-d58122b729af.jpg "2D Structure of 2-[(5S,6R)-10,12-dihydroxy-5-methyl-3,8-dioxo-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-6-yl]-2-methylpropanoic acid")
| 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 | 97.54% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.93% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.81% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.03% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.30% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.21% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.27% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.38% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.80% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.53% | 97.25% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.03% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.39% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.25% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.84% | 93.04% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.90% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.81% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.32% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.05% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.94% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.71% | 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.
| Salvia palaestina |
| PubChem | 101713163 |
| LOTUS | LTS0108219 |
| wikiData | Q105225961 |