Mutaxanthene A
| Internal ID | 1cf1b084-faf2-4cbe-b105-9be9795966e5 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 2,7-dihydroxy-1-methoxy-4,6,11-trioxo-3-propanoyl-4a,12-dihydro-1H-benzo[b]xanthene-12a-carboxylic acid |
| SMILES (Canonical) | CCC(=O)C1=C(C(C2(CC3=C(C(=O)C4=C(C3=O)C=CC=C4O)OC2C1=O)C(=O)O)OC)O |
| SMILES (Isomeric) | CCC(=O)C1=C(C(C2(CC3=C(C(=O)C4=C(C3=O)C=CC=C4O)OC2C1=O)C(=O)O)OC)O |
| InChI | InChI=1S/C22H18O10/c1-3-10(23)13-16(27)19(31-2)22(21(29)30)7-9-14(25)8-5-4-6-11(24)12(8)15(26)18(9)32-20(22)17(13)28/h4-6,19-20,24,27H,3,7H2,1-2H3,(H,29,30) |
| InChI Key | PKRHNGBQIAOOCI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H18O10 |
| Molecular Weight | 442.40 g/mol |
| Exact Mass | 442.08999677 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 1.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.13% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.70% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.32% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.81% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.85% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.42% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.41% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.24% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.37% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.67% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.35% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.97% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.89% | 96.95% |
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 | 139587940 |
| LOTUS | LTS0096242 |
| wikiData | Q105210582 |