(3R)-7-[(1S,3R)-3-ethoxy-7-methoxy-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one
| Internal ID | 5f898ddf-2ca4-4d1b-aa85-0375753b730e |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (3R)-7-[(1S,3R)-3-ethoxy-7-methoxy-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one |
| SMILES (Canonical) | CCOC1CC(C2=C1C=CC=C2OC)C3=CC4=C(CC(CC4=O)(C)O)C=C3 |
| SMILES (Isomeric) | CCO[C@@H]1C[C@H](C2=C1C=CC=C2OC)C3=CC4=C(C[C@@](CC4=O)(C)O)C=C3 |
| InChI | InChI=1S/C23H26O4/c1-4-27-21-11-18(22-16(21)6-5-7-20(22)26-3)14-8-9-15-12-23(2,25)13-19(24)17(15)10-14/h5-10,18,21,25H,4,11-13H2,1-3H3/t18-,21+,23+/m0/s1 |
| InChI Key | RSHNJIADZFGREQ-QTGUNEKASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O4 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (3R)-7-[(1S,3R)-3-ethoxy-7-methoxy-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/842df540-86f0-11ee-b41b-ff247c9b3c8e.jpg "2D Structure of (3R)-7-[(1S,3R)-3-ethoxy-7-methoxy-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-3-methyl-2,4-dihydronaphthalen-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.11% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.90% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.37% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.12% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.25% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 93.74% | 89.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.64% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.14% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.11% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.10% | 92.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.00% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.84% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.74% | 98.75% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.24% | 94.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.60% | 97.14% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.87% | 93.31% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.95% | 97.05% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.07% | 89.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.96% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.82% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.55% | 96.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.24% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.72% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.20% | 96.21% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.96% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.87% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.63% | 94.00% |
| CHEMBL2319 | P06870 | Kallikrein 1 | 80.27% | 90.95% |
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 | 163163197 |
| LOTUS | LTS0090569 |
| wikiData | Q105244654 |