(2E,4S)-4-hydroxy-2-[(2S)-3-hydroxy-2-methoxy-3-methylbutylidene]-3,4-dihydronaphthalen-1-one
| Internal ID | da74c1f6-72b1-4057-a924-565d616b0d0f |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (2E,4S)-4-hydroxy-2-[(2S)-3-hydroxy-2-methoxy-3-methylbutylidene]-3,4-dihydronaphthalen-1-one |
| SMILES (Canonical) | CC(C)(C(C=C1CC(C2=CC=CC=C2C1=O)O)OC)O |
| SMILES (Isomeric) | CC(C)([C@H](/C=C/1\C[C@@H](C2=CC=CC=C2C1=O)O)OC)O |
| InChI | InChI=1S/C16H20O4/c1-16(2,19)14(20-3)9-10-8-13(17)11-6-4-5-7-12(11)15(10)18/h4-7,9,13-14,17,19H,8H2,1-3H3/b10-9+/t13-,14-/m0/s1 |
| InChI Key | GDNJHSLMSYVKFX-KYXFNPKGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20O4 |
| Molecular Weight | 276.33 g/mol |
| Exact Mass | 276.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (2E,4S)-4-hydroxy-2-[(2S)-3-hydroxy-2-methoxy-3-methylbutylidene]-3,4-dihydronaphthalen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/2e4s-4-hydroxy-2-2s-3-hydroxy-2-methoxy-3-methylbutylidene-34-dihydronaphthalen-1-one.jpg "2D Structure of (2E,4S)-4-hydroxy-2-[(2S)-3-hydroxy-2-methoxy-3-methylbutylidene]-3,4-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.80% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.55% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.20% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.77% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.64% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.72% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.87% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.29% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.76% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.70% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.41% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.16% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.45% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.18% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.08% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.92% | 93.03% |
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.
| Catalpa ovata |
| PubChem | 163190225 |
| LOTUS | LTS0127906 |
| wikiData | Q105006826 |