(2S,4S)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-2,3,4,6-tetrahydrochromen-5-one
| Internal ID | 4726990e-f2c9-44c5-b86f-2dcf00f5d173 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (2S,4S)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-2,3,4,6-tetrahydrochromen-5-one |
| SMILES (Canonical) | C1C(OC2=C(C1C3=CC=CC=C3)C(=O)CC(=C2)C=CC4=CC=CC=C4)CC(=O)CCC5=CC=CC=C5 |
| SMILES (Isomeric) | C1[C@H](OC2=C([C@@H]1C3=CC=CC=C3)C(=O)CC(=C2)/C=C/C4=CC=CC=C4)CC(=O)CCC5=CC=CC=C5 |
| InChI | InChI=1S/C33H30O3/c34-28(19-18-25-12-6-2-7-13-25)22-29-23-30(27-14-8-3-9-15-27)33-31(35)20-26(21-32(33)36-29)17-16-24-10-4-1-5-11-24/h1-17,21,29-30H,18-20,22-23H2/b17-16+/t29-,30+/m1/s1 |
| InChI Key | JOMNSZQNMFKJCU-IBJAOLLWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H30O3 |
| Molecular Weight | 474.60 g/mol |
| Exact Mass | 474.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of (2S,4S)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-2,3,4,6-tetrahydrochromen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s4s-2-2-oxo-4-phenylbutyl-4-phenyl-7-e-2-phenylethenyl-2346-tetrahydrochromen-5-one.jpg "2D Structure of (2S,4S)-2-(2-oxo-4-phenylbutyl)-4-phenyl-7-[(E)-2-phenylethenyl]-2,3,4,6-tetrahydrochromen-5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.70% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.54% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.18% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.50% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.97% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.10% | 93.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.67% | 96.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.89% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 83.73% | 92.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.04% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.69% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.59% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 81.91% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.35% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163189332 |
| LOTUS | LTS0082187 |
| wikiData | Q105132430 |