7-Hydroxy-8-methoxytrypethelone
| Internal ID | d8db937f-5498-4423-afbc-606c2f35ffcb |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (2S)-7-hydroxy-6-methoxy-2,3,3,9-tetramethyl-2H-benzo[g][1]benzofuran-4,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H18O5/c1-7-6-9(18)15(21-5)11-10(7)16-12(14(20)13(11)19)17(3,4)8(2)22-16/h6,8,18H,1-5H3/t8-/m0/s1 |
| InChI Key | HXWIMXDSPPVVRH-QMMMGPOBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.50 |
| 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 | 98.42% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.76% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.43% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.17% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.34% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.18% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.78% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.82% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.89% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.45% | 91.49% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.40% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.99% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.91% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.80% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.45% | 94.73% |
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 | 139583205 |
| LOTUS | LTS0149434 |
| wikiData | Q75057032 |