(3R)-3-hydroxy-7-[(1S,3R)-3-hydroxy-7-methoxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-2,4-dihydronaphthalen-1-one
| Internal ID | 5b95470d-dd3c-4188-9f44-f2847db345dd |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (3R)-3-hydroxy-7-[(1S,3R)-3-hydroxy-7-methoxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-2,4-dihydronaphthalen-1-one |
| SMILES (Canonical) | CC1(CC2=C(C=C(C=C2)C3CC(C4=C3C(=CC=C4)OC)O)C(=O)C1)O |
| SMILES (Isomeric) | C[C@]1(CC2=C(C=C(C=C2)[C@@H]3C[C@H](C4=C3C(=CC=C4)OC)O)C(=O)C1)O |
| InChI | InChI=1S/C21H22O4/c1-21(24)10-13-7-6-12(8-15(13)18(23)11-21)16-9-17(22)14-4-3-5-19(25-2)20(14)16/h3-8,16-17,22,24H,9-11H2,1-2H3/t16-,17+,21+/m0/s1 |
| InChI Key | BNRDMPVFOQZRIG-CSODHUTKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O4 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (3R)-3-hydroxy-7-[(1S,3R)-3-hydroxy-7-methoxy-2,3-dihydro-1H-inden-1-yl]-3-methyl-2,4-dihydronaphthalen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/160e1a20-8656-11ee-a98f-c3cab55afc97.jpg "2D Structure of (3R)-3-hydroxy-7-[(1S,3R)-3-hydroxy-7-methoxy-2,3-dihydro-1H-inden-1-yl]-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 | 98.32% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.22% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.90% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.99% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.87% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.45% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.24% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.75% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.49% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.99% | 97.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.57% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.45% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.38% | 97.05% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.22% | 93.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.18% | 93.99% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.97% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.50% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.60% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.32% | 100.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.23% | 94.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.69% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.59% | 95.89% |
| CHEMBL4422 | O14842 | Free fatty acid receptor 1 | 80.80% | 93.33% |
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 | 163107571 |
| LOTUS | LTS0203056 |
| wikiData | Q104938976 |