Vermelone
| Internal ID | 6d0f7f22-7df2-4a83-b51d-00460f750c0a |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 3,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one |
| SMILES (Canonical) | C1C(CC(=O)C2=C1C=CC=C2O)O |
| SMILES (Isomeric) | C1C(CC(=O)C2=C1C=CC=C2O)O |
| InChI | InChI=1S/C10H10O3/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-3,7,11-12H,4-5H2 |
| InChI Key | AQTKGZASUQVMEJ-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.18 g/mol |
| Exact Mass | 178.062994177 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 1.20 |
| 59796-04-2 |
| 3,4-Dihydro-3,8-dihydroxy-1(2H)-naphthalenone |
| 3,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one |
| 1(2H)-Naphthalenone, 3,4-dihydro-3,8-dihydroxy- |
| RefChem:193986 |
| 3,8-Dihydroxy-3,4-dihydronaphthalen-1(2H)-one |
| CHEBI:9957 |
| SCHEMBL30540078 |
| DTXSID00975204 |
| AQTKGZASUQVMEJ-UHFFFAOYSA-N |
| 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 | 96.28% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.47% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.23% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.11% | 95.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.70% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.49% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.42% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.47% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.97% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.89% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.75% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.76% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 173699 |
| LOTUS | LTS0121273 |
| wikiData | Q27108531 |