Epishamixanthone
| Internal ID | 7cc66295-202f-48c0-b494-a334cd90baf8 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | (1R,2R)-1,11-dihydroxy-5-methyl-8-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H26O5/c1-12(2)6-7-15-8-9-17(26)19-23(28)20-18(30-25(15)19)10-14(5)24-21(20)22(27)16(11-29-24)13(3)4/h6,8-10,16,22,26-27H,3,7,11H2,1-2,4-5H3/t16-,22+/m0/s1 |
| InChI Key | MXGMZMKTWCNKRS-KSFYIVLOSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 5.90 |
| Epishamixanthone, (+)- |
| UNII-GB2O24O73L |
| GB2O24O73L |
| 60209-21-4 |
| Pyrano(3,2-a)xanthen-12(1H)-one, 2,3-dihydro-1,11-dihydroxy-5-methyl-8-(3-methyl-2-buten-1-yl)-2-(1-methylethenyl)-, (1R,2R)- |
| Pyrano(3,2-a)xanthen-12(1H)-one, 2,3-dihydro-1,11-dihydroxy-5-methyl-8-(3-methyl-2-butenyl)-2-(1-methylethenyl)-, (1R-cis)- |
| Q27279008 |
| 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 | 99.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.21% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.21% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.97% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.21% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.36% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.74% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.43% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.20% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.09% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.53% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.51% | 94.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.65% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.83% | 96.95% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.03% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.73% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.25% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.76% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.24% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.66% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.66% | 97.09% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.65% | 91.38% |
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 | 101967076 |
| LOTUS | LTS0077027 |
| wikiData | Q27279008 |