3,5,7-trihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-2-phenylchromen-4-one
| Internal ID | 02a7c5a1-f9d6-418b-a6bf-1a67405e0407 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 3,5,7-trihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-2-phenylchromen-4-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C(C=C)C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=CC=C4)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@@H](C=C)C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=CC=C4)O)O)O |
| InChI | InChI=1S/C25H20O7/c1-3-15(14-9-10-16(26)19(11-14)31-2)20-17(27)12-18(28)21-22(29)23(30)24(32-25(20)21)13-7-5-4-6-8-13/h3-12,15,26-28,30H,1H2,2H3/t15-/m1/s1 |
| InChI Key | JRFVOMWWESIGRR-OAHLLOKOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H20O7 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 3,5,7-trihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-2-phenylchromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/07/357-trihydroxy-8-1r-1-4-hydroxy-3-methoxyphenylprop-2-enyl-2-phenylchromen-4-one.jpg "2D Structure of 3,5,7-trihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-2-phenylchromen-4-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 | 99.85% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.60% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.27% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.40% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.12% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.07% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.81% | 99.15% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.18% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.18% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.29% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.08% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.33% | 94.73% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 83.66% | 98.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.89% | 96.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 82.72% | 98.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.44% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.41% | 91.49% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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