1-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-2-hydroxyethanone
| Internal ID | ba6b8a19-8895-4484-99b0-e4ae9103e7d6 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 1-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-2-hydroxyethanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O9/c1-26-15-6-11(4-5-13(15)23)19(25)18(10-22)29-20-16(27-2)7-12(14(24)9-21)8-17(20)28-3/h4-8,18-19,21-23,25H,9-10H2,1-3H3 |
| InChI Key | AQPXIPMTIFZMHH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O9 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 1-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-2-hydroxyethanone](https://plantaedb.com/storage/docs/compounds/2023/11/51c0ef30-86b7-11ee-b0a5-7740ca33638c.jpg "2D Structure of 1-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-2-hydroxyethanone")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.44% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.45% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.74% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.13% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.69% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.26% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.62% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.11% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.82% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.97% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.67% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.95% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.09% | 89.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.86% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.00% | 95.89% |
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.
| Echinacea purpurea |
| PubChem | 12189820 |
| LOTUS | LTS0061539 |
| wikiData | Q104916997 |