7,9,16-Trihydroxy-13-methyl-12,19-dioxatricyclo[13.3.1.05,10]nonadeca-5(10),6,8-triene-3,11-dione
| Internal ID | 0719a22e-79c9-462d-896b-59d8a4a9a97f |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 7,9,16-trihydroxy-13-methyl-12,19-dioxatricyclo[13.3.1.05,10]nonadeca-5(10),6,8-triene-3,11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H22O7/c1-9-4-16-14(21)3-2-13(25-16)7-11(19)5-10-6-12(20)8-15(22)17(10)18(23)24-9/h6,8-9,13-14,16,20-22H,2-5,7H2,1H3 |
| InChI Key | IZYRYRLSUIPQLP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O7 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 7,9,16-Trihydroxy-13-methyl-12,19-dioxatricyclo[13.3.1.05,10]nonadeca-5(10),6,8-triene-3,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7916-trihydroxy-13-methyl-1219-dioxatricyclo13310510nonadeca-51068-triene-311-dione.jpg "2D Structure of 7,9,16-Trihydroxy-13-methyl-12,19-dioxatricyclo[13.3.1.05,10]nonadeca-5(10),6,8-triene-3,11-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.70% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.39% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.28% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.71% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.71% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.44% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.00% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.44% | 89.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.66% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.72% | 86.33% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.32% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.68% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.26% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.73% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.72% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.18% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.74% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.46% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.65% | 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.
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| There are no matching plants. |
| PubChem | 76004037 |
| LOTUS | LTS0201145 |
| wikiData | Q104169304 |