3'-Angeloyloxy-4',6'-dihydroxy-2',5'-dimethoxychalcone
| Internal ID | 83dbe8bc-af50-4cf9-9491-afdf2ec5f0e7 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1=C(C(=C(C(=C1O)OC)O)C(=O)C=CC2=CC=CC=C2)OC |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)OC1=C(C(=C(C(=C1O)OC)O)C(=O)/C=C/C2=CC=CC=C2)OC |
| InChI | InChI=1S/C22H22O7/c1-5-13(2)22(26)29-21-18(25)20(28-4)17(24)16(19(21)27-3)15(23)12-11-14-9-7-6-8-10-14/h5-12,24-25H,1-4H3/b12-11+,13-5- |
| InChI Key | VAKBZJXPGKSDQT-BDVHTTMESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H22O7 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.40 |
| CHEBI:178245 |
| LMPK12120356 |
| [2,4-dihydroxy-3,6-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl] (Z)-2-methylbut-2-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 | 97.11% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.43% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.62% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.61% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.92% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.66% | 96.09% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 84.86% | 98.21% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.23% | 94.08% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.09% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.44% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.23% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.99% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.50% | 99.17% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.30% | 94.23% |
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.
| There are no matching plants. |
| PubChem | 42607633 |
| LOTUS | LTS0075383 |
| wikiData | Q76535045 |