2,4-dihydroxy-6-methoxy-3-methyl-5-[(E)-3-phenylprop-2-enoyl]benzaldehyde
| Internal ID | 12e364ec-af70-4c17-96c2-e46c41e86a56 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | 2,4-dihydroxy-6-methoxy-3-methyl-5-[(E)-3-phenylprop-2-enoyl]benzaldehyde |
| SMILES (Canonical) | CC1=C(C(=C(C(=C1O)C(=O)C=CC2=CC=CC=C2)OC)C=O)O |
| SMILES (Isomeric) | CC1=C(C(=C(C(=C1O)C(=O)/C=C/C2=CC=CC=C2)OC)C=O)O |
| InChI | InChI=1S/C18H16O5/c1-11-16(21)13(10-19)18(23-2)15(17(11)22)14(20)9-8-12-6-4-3-5-7-12/h3-10,21-22H,1-2H3/b9-8+ |
| InChI Key | UPZRKLKRPSEKAT-CMDGGOBGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H16O5 |
| Molecular Weight | 312.30 g/mol |
| Exact Mass | 312.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 2,4-dihydroxy-6-methoxy-3-methyl-5-[(E)-3-phenylprop-2-enoyl]benzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/24-dihydroxy-6-methoxy-3-methyl-5-e-3-phenylprop-2-enoylbenzaldehyde.jpg "2D Structure of 2,4-dihydroxy-6-methoxy-3-methyl-5-[(E)-3-phenylprop-2-enoyl]benzaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.28% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.09% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.47% | 86.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.99% | 94.08% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 90.79% | 98.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.36% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.63% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.60% | 98.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.27% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 83.53% | 97.50% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 83.47% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.57% | 93.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.24% | 91.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.51% | 98.95% |
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.
| Syzygium nervosum |
| PubChem | 12132942 |
| LOTUS | LTS0212029 |
| wikiData | Q105277097 |