(2R)-4-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
| Internal ID | abb0cbcb-2a9c-41f0-8256-4ee87b0ac068 |
| Taxonomy | Benzenoids > Indanes > Indanones |
| IUPAC Name | (2R)-4-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one |
| SMILES (Canonical) | CC1CC2=C(C1=O)C(=C(C(=C2O)C)CCO)C |
| SMILES (Isomeric) | C[C@@H]1CC2=C(C1=O)C(=C(C(=C2O)C)CCO)C |
| InChI | InChI=1S/C14H18O3/c1-7-6-11-12(13(7)16)8(2)10(4-5-15)9(3)14(11)17/h7,15,17H,4-6H2,1-3H3/t7-/m1/s1 |
| InChI Key | QXFUIMCTCZCFJY-SSDOTTSWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.29 g/mol |
| Exact Mass | 234.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 96.68% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.96% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.22% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.84% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.36% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.57% | 96.09% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 85.33% | 96.37% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.25% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.01% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.08% | 94.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.72% | 95.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.35% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.90% | 85.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.65% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.58% | 86.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.44% | 99.23% |
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.
| Onychium japonicum |
| PubChem | 92468652 |
| LOTUS | LTS0236818 |
| wikiData | Q105229588 |