13,17-Dihydroxy-5-methoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-9,15-dione
| Internal ID | afefa5f7-34f0-4e63-a10c-dfa7fadde213 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 13,17-dihydroxy-5-methoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-9,15-dione |
| SMILES (Canonical) | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C)OC |
| SMILES (Isomeric) | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C)OC |
| InChI | InChI=1S/C19H16O8/c1-6-5-9(24-4)7(2)14-10(6)17(21)26-15-8(3)13(20)11-12(16(15)25-14)19(23)27-18(11)22/h5,19-20,23H,1-4H3 |
| InChI Key | PGRWVCGZKIXMQW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H16O8 |
| Molecular Weight | 372.30 g/mol |
| Exact Mass | 372.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 13,17-Dihydroxy-5-methoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-9,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bd9f9e40-8761-11ee-9291-5f4a489fc470.jpg "2D Structure of 13,17-Dihydroxy-5-methoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-9,15-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 | 97.86% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.09% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.36% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.38% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.89% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.78% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.64% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.60% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.86% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.80% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.73% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.19% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.90% | 98.75% |
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.
| Coreocarpus arizonicus |
| PubChem | 101351294 |
| LOTUS | LTS0179954 |
| wikiData | Q105215944 |