4,6,8-Trihydroxy-3-methyl-3,4-dihydroisochromen-1-one
| Internal ID | 7880f3c2-3039-4f7a-bec8-fe32e659bd90 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | 4,6,8-trihydroxy-3-methyl-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | CC1C(C2=C(C(=CC(=C2)O)O)C(=O)O1)O |
| SMILES (Isomeric) | CC1C(C2=C(C(=CC(=C2)O)O)C(=O)O1)O |
| InChI | InChI=1S/C10H10O5/c1-4-9(13)6-2-5(11)3-7(12)8(6)10(14)15-4/h2-4,9,11-13H,1H3 |
| InChI Key | DTEMWHDWCYDLNU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.18 g/mol |
| Exact Mass | 210.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 1.00 |
| AKOS040739753 |
| NCGC00380881-01!4,6,8-trihydroxy-3-methyl-3,4-dihydroisochromen-1-one |
| 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 | 98.39% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.28% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.88% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.24% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.80% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.67% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.01% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.73% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.01% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.10% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.85% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.59% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.57% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.13% | 99.17% |
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.
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| There are no matching plants. |
| PubChem | 57509387 |
| LOTUS | LTS0130465 |
| wikiData | Q104988236 |