Igtocwfrbruvnc-uhfffaoysa-
| Internal ID | e9b8d383-85a7-4a30-af2f-3d5e528cc06c |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,2,3-trihydroxy-7,8-dimethoxyxanthen-9-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=C(C(=C3)O)O)O)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=C(C(=C3)O)O)O)OC |
| InChI | InChI=1S/C15H12O7/c1-20-8-4-3-7-11(15(8)21-2)13(18)10-9(22-7)5-6(16)12(17)14(10)19/h3-5,16-17,19H,1-2H3 |
| InChI Key | IGTOCWFRBRUVNC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12O7 |
| Molecular Weight | 304.25 g/mol |
| Exact Mass | 304.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.40 |
| InChI=1/C15H12O7/c1-20-8-4-3-7-11(15(8)21-2)13(18)10-9(22-7)5-6(16)12(17)14(10)19/h3-5,16-17,19H,1-2H3 |
| 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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.04% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.36% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.95% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.29% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.89% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.70% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.25% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 88.79% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.83% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.43% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.29% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.26% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.27% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.01% | 93.99% |
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.
| Swertia iberica |
| PubChem | 23266577 |
| LOTUS | LTS0187587 |
| wikiData | Q105112807 |