Emerixanthone C
| Internal ID | 49e0f867-30e1-43a0-b305-cce54a85a511 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | (1R,2S)-8-[(2S)-2,3-dimethoxy-3-methylbutyl]-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one |
| SMILES (Canonical) | CC1=CC2=C(C3=C1OCC(C3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(C(C)(C)OC)OC)O |
| SMILES (Isomeric) | CC1=CC2=C(C3=C1OC[C@@H]([C@H]3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)C[C@@H](C(C)(C)OC)OC)O |
| InChI | InChI=1S/C27H32O7/c1-13(2)16-12-33-25-14(3)10-18-21(22(25)23(16)29)24(30)20-17(28)9-8-15(26(20)34-18)11-19(31-6)27(4,5)32-7/h8-10,16,19,23,28-29H,1,11-12H2,2-7H3/t16-,19+,23-/m1/s1 |
| InChI Key | ZYENQXOKBJDPNM-BVZALQNUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H32O7 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 4.60 |
| 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 | 99.41% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.58% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.45% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.51% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.56% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.85% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.44% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.39% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.54% | 96.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.38% | 89.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.21% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.10% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.93% | 99.23% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.39% | 95.17% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.53% | 90.93% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.23% | 93.65% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.84% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.21% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.81% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.78% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.43% | 93.99% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.79% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.60% | 97.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.08% | 97.09% |
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 | 139587653 |
| LOTUS | LTS0194003 |
| wikiData | Q77571244 |