Usneaxanthone C
| Internal ID | 2f64a0f7-4b70-4104-a575-e0ecdbb64859 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | methyl (4S,4aR)-4,8-dihydroxy-6-methyl-9-oxo-5-[(10S,11S,13R,14R)-7,10,14-trihydroxy-13-methyl-9,15-dioxo-2,16-dioxatetracyclo[9.3.2.01,10.03,8]hexadeca-3(8),4,6-trien-6-yl]-2,3,4,9a-tetrahydro-1H-xanthene-4a-carboxylate |
| SMILES (Canonical) | CC1CC2C3(C(=O)C4=C(C=CC(=C4O)C5=C6C(=C(C=C5C)O)C(=O)C7CCCC(C7(O6)C(=O)OC)O)OC3(C1O)C(=O)O2)O |
| SMILES (Isomeric) | C[C@@H]1C[C@H]2[C@]3(C(=O)C4=C(C=CC(=C4O)C5=C6C(=C(C=C5C)O)C(=O)C7CCC[C@@H]([C@@]7(O6)C(=O)OC)O)OC3([C@@H]1O)C(=O)O2)O |
| InChI | InChI=1S/C31H30O13/c1-11-9-15(32)20-23(35)14-5-4-6-17(33)29(14,27(38)41-3)44-24(20)19(11)13-7-8-16-21(22(13)34)26(37)30(40)18-10-12(2)25(36)31(30,43-16)28(39)42-18/h7-9,12,14,17-18,25,32-34,36,40H,4-6,10H2,1-3H3/t12-,14?,17+,18+,25-,29-,30-,31?/m1/s1 |
| InChI Key | ACKKUSQQTNKNJK-IIYUKLDQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H30O13 |
| Molecular Weight | 610.60 g/mol |
| Exact Mass | 610.16864101 g/mol |
| Topological Polar Surface Area (TPSA) | 206.00 Ų |
| XlogP | 3.00 |
| 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 | 99.35% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.05% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.65% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.49% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.32% | 99.23% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.26% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.24% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.01% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.65% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.52% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.29% | 97.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.07% | 90.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.96% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.95% | 96.38% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.45% | 82.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.37% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.71% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 83.03% | 97.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.14% | 97.28% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.13% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.02% | 86.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.92% | 85.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.08% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.87% | 91.19% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 80.35% | 96.76% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.00% | 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 | 146683422 |
| LOTUS | LTS0183092 |
| wikiData | Q104909148 |