16-Hydroxy-17-methoxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dione
| Internal ID | c41df0ac-ac8f-44a2-9e9a-767fcc65a805 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 16-hydroxy-17-methoxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dione |
| SMILES (Canonical) | CC12CC(C(C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)O)OC |
| SMILES (Isomeric) | CC12CC(C(C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)O)OC |
| InChI | InChI=1S/C20H18O5/c1-20-7-14(24-2)17(22)11-8-25-19(16(11)20)18(23)15-10-4-6-13(21)9(10)3-5-12(15)20/h3,5,8,14,17,22H,4,6-7H2,1-2H3 |
| InChI Key | FRKJGFHTBOKCKM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O5 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 76.70 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 16-Hydroxy-17-methoxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/efe2ec00-85d7-11ee-ab53-07c9d5147032.jpg "2D Structure of 16-Hydroxy-17-methoxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.25% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.70% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.02% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.74% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.72% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.07% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.28% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.63% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.49% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.41% | 95.89% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.91% | 93.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.40% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.43% | 97.09% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.76% | 96.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.29% | 90.71% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.13% | 95.38% |
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 | 78117469 |
| LOTUS | LTS0067149 |
| wikiData | Q104166711 |