6-Hydroxymellein
| Internal ID | 662950b1-c7a8-4042-8310-4819c310f985 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | (3R)-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | CC1CC2=C(C(=CC(=C2)O)O)C(=O)O1 |
| SMILES (Isomeric) | C[C@@H]1CC2=C(C(=CC(=C2)O)O)C(=O)O1 |
| InChI | InChI=1S/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3/t5-/m1/s1 |
| InChI Key | DHLPMLVSBRRUGA-RXMQYKEDSA-N |
| Popularity | 12 references in papers |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.18 g/mol |
| Exact Mass | 194.05790880 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.10 |
| (R)-6-hydroxymellein |
| 70901-60-9 |
| (-)-6-Hydroxymellein |
| 3,4-Dihydro-6,8-dihydroxy-3-methylisocoumarin |
| 6,8-Dihydroxy-3-methyl-3,4-dihydroisocoumarin |
| (R)-(-)-6-hydroxymellein |
| PUH8Z0Q805 |
| (3R)-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one |
| (3R)-3,4-dihydro-6,8-dihydroxy-3-methyl-isocoumarin |
| (3R)-6,8-dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.26% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.18% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.20% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.40% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.18% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.08% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.70% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.24% | 93.40% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.79% | 96.12% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.06% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.64% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.49% | 95.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.23% | 94.00% |
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.
| Garcinia atroviridis |
| Senna siamea |
| PubChem | 172675 |
| LOTUS | LTS0197597 |
| wikiData | Q4641539 |