13,17-Dihydroxy-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
| Internal ID | e79933c5-7f0e-498c-bb0d-d09846219098 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 13,17-dihydroxy-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde |
| SMILES (Canonical) | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3)O)C(=O)OC4O)C=O)OC |
| SMILES (Isomeric) | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3)O)C(=O)OC4O)C=O)OC |
| InChI | InChI=1S/C18H12O9/c1-6-3-9(24-2)7(5-19)14-11(6)16(21)25-10-4-8(20)12-13(15(10)26-14)18(23)27-17(12)22/h3-5,18,20,23H,1-2H3 |
| InChI Key | KBYOEKUEXKSANA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H12O9 |
| Molecular Weight | 372.30 g/mol |
| Exact Mass | 372.04813196 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 13,17-Dihydroxy-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/dbbc9510-8574-11ee-bfc6-4341c67b7386.jpg "2D Structure of 13,17-Dihydroxy-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.72% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 96.70% | 98.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.84% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.32% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.87% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.47% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.46% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.82% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.29% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.56% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.61% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.77% | 99.15% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.46% | 94.80% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.22% | 82.38% |
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 | 162946001 |
| LOTUS | LTS0132113 |
| wikiData | Q105138606 |