1,5,6-Trihydroxy-3-methoxy-2-(2-methylbut-3-en-2-yl)xanthen-9-one
| Internal ID | c8c8b5ce-7d68-4654-afc0-33037e429bf7 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,5,6-trihydroxy-3-methoxy-2-(2-methylbut-3-en-2-yl)xanthen-9-one |
| SMILES (Canonical) | CC(C)(C=C)C1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(=C(C=C3)O)O)OC |
| SMILES (Isomeric) | CC(C)(C=C)C1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(=C(C=C3)O)O)OC |
| InChI | InChI=1S/C19H18O6/c1-5-19(2,3)14-12(24-4)8-11-13(17(14)23)15(21)9-6-7-10(20)16(22)18(9)25-11/h5-8,20,22-23H,1H2,2-4H3 |
| InChI Key | XLXGUDOZKIHQTN-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
| 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 | 99.01% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.45% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.88% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.93% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.50% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.08% | 98.95% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 91.26% | 98.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.13% | 86.33% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 88.94% | 80.78% |
| CHEMBL3194 | P02766 | Transthyretin | 87.68% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.42% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.58% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.64% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.57% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.47% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.03% | 95.89% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.27% | 94.42% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.60% | 89.34% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.40% | 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.
| Maclura cochinchinensis |
| PubChem | 14412273 |
| LOTUS | LTS0207809 |
| wikiData | Q104395072 |