(E)-3-[3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl]-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
| Internal ID | 6ba3bf0a-7097-4555-b5cc-40d52804c967 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (E)-3-[3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl]-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C(=O)C=CC2=C(C(=C(C=C2O)OC)CC3=CC(=C(C=C3)O)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C(=O)/C=C/C2=C(C(=C(C=C2O)OC)CC3=CC(=C(C=C3)O)O)OC)O |
| InChI | InChI=1S/C25H24O8/c1-31-23-9-5-15(12-22(23)30)18(26)8-6-16-20(28)13-24(32-2)17(25(16)33-3)10-14-4-7-19(27)21(29)11-14/h4-9,11-13,27-30H,10H2,1-3H3/b8-6+ |
| InChI Key | DRHHMLLFTQIHIJ-SOFGYWHQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O8 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (E)-3-[3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl]-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/34717730-859d-11ee-a01a-77db8224e950.jpg "2D Structure of (E)-3-[3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl]-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-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 |
|---|---|---|---|---|
| CHEMBL3194 | P02766 | Transthyretin | 95.35% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.99% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.58% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.51% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.31% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.04% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.46% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.22% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.78% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.74% | 93.99% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.46% | 90.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.10% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.10% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.86% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.43% | 97.21% |
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.
| Onychium japonicum |
| PubChem | 53361356 |
| LOTUS | LTS0131688 |
| wikiData | Q104987410 |