Methyl 5-[2-hydroxy-6-methoxy-4-(2-phenylethenyl)phenyl]-7-phenylhept-6-enoate
| Internal ID | 78bb8506-f72c-436b-a217-def34f96a162 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | methyl 5-[2-hydroxy-6-methoxy-4-(2-phenylethenyl)phenyl]-7-phenylhept-6-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H30O4/c1-32-27-21-24(17-16-22-10-5-3-6-11-22)20-26(30)29(27)25(14-9-15-28(31)33-2)19-18-23-12-7-4-8-13-23/h3-8,10-13,16-21,25,30H,9,14-15H2,1-2H3 |
| InChI Key | TVJWBELILIIXPA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H30O4 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of Methyl 5-[2-hydroxy-6-methoxy-4-(2-phenylethenyl)phenyl]-7-phenylhept-6-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-5-2-hydroxy-6-methoxy-4-2-phenylethenylphenyl-7-phenylhept-6-enoate.jpg "2D Structure of Methyl 5-[2-hydroxy-6-methoxy-4-(2-phenylethenyl)phenyl]-7-phenylhept-6-enoate")
| 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 | 98.99% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 98.42% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.81% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.73% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.19% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.82% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.00% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.39% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.23% | 89.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.93% | 95.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.75% | 94.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.63% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.04% | 90.20% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.47% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.96% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.22% | 96.95% |
| CHEMBL5028 | O14672 | ADAM10 | 80.11% | 97.50% |
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.
| Cryptocarya idenburgensis |
| PubChem | 85235227 |
| LOTUS | LTS0208317 |
| wikiData | Q105265351 |