7-Methoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),4,6,9,11-pentaene-2,8-dione
| Internal ID | bb1e14ac-be3f-478e-8d27-b9dce1648e74 |
| Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
| IUPAC Name | 7-methoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),4,6,9,11-pentaene-2,8-dione |
| SMILES (Canonical) | COC1=CC2=COC(=O)C3=C2C(=C(C=C3)C4=CC=CC=C4)C1=O |
| SMILES (Isomeric) | COC1=CC2=COC(=O)C3=C2C(=C(C=C3)C4=CC=CC=C4)C1=O |
| InChI | InChI=1S/C19H12O4/c1-22-15-9-12-10-23-19(21)14-8-7-13(11-5-3-2-4-6-11)17(16(12)14)18(15)20/h2-10H,1H3 |
| InChI Key | ZMMRLVYBLORXAW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H12O4 |
| Molecular Weight | 304.30 g/mol |
| Exact Mass | 304.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 7-Methoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),4,6,9,11-pentaene-2,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7-methoxy-10-phenyl-3-oxatricyclo7310513trideca-11346911-pentaene-28-dione.jpg "2D Structure of 7-Methoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),4,6,9,11-pentaene-2,8-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 | 97.74% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.90% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.53% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.59% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.53% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.59% | 93.31% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.14% | 85.94% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.35% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.53% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.24% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.23% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.58% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.09% | 97.14% |
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.
| Wachendorfia thyrsiflora |
| Xiphidium caeruleum |
| PubChem | 10859663 |
| LOTUS | LTS0180702 |
| wikiData | Q105379530 |