3-Methoxy-1,4,8-trihydroxy-5-(1',3',4'-trihydroxybutan-2-yl)xanthone
| Internal ID | e164925c-6281-493a-a245-9cc448cf4e88 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,4,8-trihydroxy-3-methoxy-5-(1,3,4-trihydroxybutan-2-yl)xanthen-9-one |
| SMILES (Canonical) | COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3O2)C(CO)C(CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3O2)C(CO)C(CO)O)O)O |
| InChI | InChI=1S/C18H18O9/c1-26-12-4-10(22)14-16(25)13-9(21)3-2-7(8(5-19)11(23)6-20)17(13)27-18(14)15(12)24/h2-4,8,11,19-24H,5-6H2,1H3 |
| InChI Key | PMTJOZFXFRICKQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H18O9 |
| Molecular Weight | 378.30 g/mol |
| Exact Mass | 378.09508215 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 0.50 |
| 3-methoxy-1,4,8-trihydroxy-5-(1',3',4'-trihydroxybutan-2-yl)xanthone |
| 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 | 98.99% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.48% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.38% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.28% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.06% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.91% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.89% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.78% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.54% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.94% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.72% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 84.75% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.28% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.29% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.77% | 92.62% |
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 | 139584772 |
| LOTUS | LTS0169806 |
| wikiData | Q77375599 |