9,13,17-Trimethyl-4,12,19-trioxapentacyclo[11.5.2.02,11.05,10.014,18]icosa-2(11),5,7,9-tetraene-3,20-dione
| Internal ID | 732e97aa-b638-4bdf-86b4-206ea5540542 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 9,13,17-trimethyl-4,12,19-trioxapentacyclo[11.5.2.02,11.05,10.014,18]icosa-2(11),5,7,9-tetraene-3,20-dione |
| SMILES (Canonical) | CC1CCC2C1C3C4=C(C5=C(C=CC=C5OC4=O)C)OC2(C(=O)O3)C |
| SMILES (Isomeric) | CC1CCC2C1C3C4=C(C5=C(C=CC=C5OC4=O)C)OC2(C(=O)O3)C |
| InChI | InChI=1S/C20H20O5/c1-9-5-4-6-12-14(9)17-15(18(21)23-12)16-13-10(2)7-8-11(13)20(3,25-17)19(22)24-16/h4-6,10-11,13,16H,7-8H2,1-3H3 |
| InChI Key | GUJJYAWCAPDUTL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 9,13,17-Trimethyl-4,12,19-trioxapentacyclo[11.5.2.02,11.05,10.014,18]icosa-2(11),5,7,9-tetraene-3,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a339e3c0-8639-11ee-aae8-4387866e9bae.jpg "2D Structure of 9,13,17-Trimethyl-4,12,19-trioxapentacyclo[11.5.2.02,11.05,10.014,18]icosa-2(11),5,7,9-tetraene-3,20-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.14% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.98% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.47% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.18% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.33% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.91% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.48% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.62% | 86.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.38% | 90.93% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.47% | 86.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.16% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.01% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.82% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.34% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.01% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.79% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.21% | 96.77% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.58% | 96.25% |
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.
| Aphyllocladus denticulatus |
| PubChem | 14108762 |
| LOTUS | LTS0070495 |
| wikiData | Q105020193 |