(S)-Isosclerone
| Internal ID | d77ef0d1-a2ce-4765-92b7-409b6ccc2a0c |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one |
| SMILES (Canonical) | C1CC(=O)C2=C(C1O)C=CC=C2O |
| SMILES (Isomeric) | C1CC(=O)C2=C(C1O)C=CC=C2O |
| InChI | InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2 |
| InChI Key | ZXYYTDCENDYKBR-UHFFFAOYSA-N |
| Popularity | 23 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 | 1.10 |
| 62332-73-4 |
| (+/-)-Isosclerone |
| 1(2H)-Naphthalenone, 3,4-dihydro-4,8-dihydroxy- |
| Isosclerone, (+/-)- |
| 4,8-DIHYDROXY-1-TETRALONE |
| AU5N5H7K3C |
| 4,8-Dihydroxytetralin-1-one |
| 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one |
| UNII-AU5N5H7K3C |
| 3,4-Dihydro-4,8-dihydroxy-1(2H)-naphthalenone |
| 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 | 97.65% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.60% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.95% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.30% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.62% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.17% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.26% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.96% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.65% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.47% | 93.40% |
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.
| Engelhardia roxburghiana |
| Garcinia atroviridis |
| Juglans mandshurica |
| Juglans regia |
| PubChem | 10442251 |
| LOTUS | LTS0174030 |
| wikiData | Q104202913 |