19-O-methyl-22-methoxypre-shamixanthone
| Internal ID | d0d1c3a4-577a-4e1b-88a8-e90498bfbfc4 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzophenones |
| IUPAC Name | [2,6-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-[(3S,4R)-6-hydroxy-4-methoxy-3-(2-methoxypropan-2-yl)-8-methyl-3,4-dihydro-2H-chromen-5-yl]methanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H34O7/c1-14(2)8-9-16-10-11-18(28)21(23(16)30)24(31)20-19(29)12-15(3)25-22(20)26(32-6)17(13-34-25)27(4,5)33-7/h8,10-12,17,26,28-30H,9,13H2,1-7H3/t17-,26+/m0/s1 |
| InChI Key | IVWVFCBVDPCALQ-MRDQGFSESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H34O7 |
| Molecular Weight | 470.60 g/mol |
| Exact Mass | 470.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 5.20 |
| 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 | 99.70% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.59% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.50% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.01% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.12% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.47% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.88% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.28% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.60% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.33% | 89.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.33% | 96.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.93% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.89% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.77% | 92.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.72% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.59% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 80.74% | 97.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.28% | 97.28% |
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 | 139584152 |
| LOTUS | LTS0062466 |
| wikiData | Q77280199 |