(1R,2S)-1-[(2S,3S)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propane-1,2-diol
| Internal ID | 49fd14be-0834-472e-94b6-7bc50869ba31 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (1R,2S)-1-[(2S,3S)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propane-1,2-diol |
| SMILES (Canonical) | CC1C(OC2=C1C=C(C=C2OC)C(C(C)O)O)C3=CC(=C(C(=C3)OC)OC)O |
| SMILES (Isomeric) | C[C@@H]1[C@H](OC2=C1C=C(C=C2OC)[C@H]([C@H](C)O)O)C3=CC(=C(C(=C3)OC)OC)O |
| InChI | InChI=1S/C21H26O7/c1-10-14-6-12(18(24)11(2)22)8-16(25-3)20(14)28-19(10)13-7-15(23)21(27-5)17(9-13)26-4/h6-11,18-19,22-24H,1-5H3/t10-,11-,18-,19-/m0/s1 |
| InChI Key | QUBMZLUMOFMRIA-GTXVLXIYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O7 |
| Molecular Weight | 390.40 g/mol |
| Exact Mass | 390.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 97.60 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (1R,2S)-1-[(2S,3S)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/612c3f60-8760-11ee-987d-873d7a9cf2ef.jpg "2D Structure of (1R,2S)-1-[(2S,3S)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.47% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.16% | 85.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.44% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.75% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.08% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.88% | 99.17% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.68% | 100.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.44% | 92.98% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.41% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.32% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.72% | 89.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.81% | 94.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.36% | 98.95% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 81.34% | 95.55% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.55% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.23% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.18% | 93.56% |
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.
| Machilus obovatifolia |
| PubChem | 162958259 |
| LOTUS | LTS0198905 |
| wikiData | Q105228029 |