(1R,2S)-1-[2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-benzofuran-5-yl]propane-1,2-diol
| Internal ID | e429b09a-7015-4616-9729-ad69100759a2 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (1R,2S)-1-[2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-benzofuran-5-yl]propane-1,2-diol |
| SMILES (Canonical) | CC1=C(OC2=C1C=C(C=C2)C(C(C)O)O)C3=CC(=C(C=C3)O)OC |
| SMILES (Isomeric) | CC1=C(OC2=C1C=C(C=C2)[C@H]([C@H](C)O)O)C3=CC(=C(C=C3)O)OC |
| InChI | InChI=1S/C19H20O5/c1-10-14-8-12(18(22)11(2)20)5-7-16(14)24-19(10)13-4-6-15(21)17(9-13)23-3/h4-9,11,18,20-22H,1-3H3/t11-,18-/m0/s1 |
| InChI Key | YUGNNXHPUAKQQQ-VOJFVSQTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O5 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 83.10 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (1R,2S)-1-[2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-benzofuran-5-yl]propane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s-1-2-4-hydroxy-3-methoxyphenyl-3-methyl-1-benzofuran-5-ylpropane-12-diol.jpg "2D Structure of (1R,2S)-1-[2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-benzofuran-5-yl]propane-1,2-diol")
| 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 | 96.50% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.71% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.47% | 98.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 91.62% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.73% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.10% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.96% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.35% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.81% | 93.31% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.39% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.19% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.92% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.50% | 95.50% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.40% | 89.62% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 83.26% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.16% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.02% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.33% | 94.73% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.25% | 90.20% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.55% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.82% | 90.71% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.64% | 94.03% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 80.60% | 92.22% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.40% | 92.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.28% | 95.12% |
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.
| Eupomatia laurina |
| PubChem | 101821079 |
| LOTUS | LTS0140769 |
| wikiData | Q105362863 |