[2-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-hydroxy-4-methoxyphenyl]-(3,5-dihydroxyphenyl)methanone
| Internal ID | 49ad9426-60d3-42b0-93b4-602d04e90cad |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [2-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-hydroxy-4-methoxyphenyl]-(3,5-dihydroxyphenyl)methanone |
| SMILES (Canonical) | COC1=CC(=C(C(=C1)OC2C(C(C(O2)CO)O)O)C(=O)C3=CC(=CC(=C3)O)O)O |
| SMILES (Isomeric) | COC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)C(=O)C3=CC(=CC(=C3)O)O)O |
| InChI | InChI=1S/C19H20O10/c1-27-11-5-12(23)15(16(24)8-2-9(21)4-10(22)3-8)13(6-11)28-19-18(26)17(25)14(7-20)29-19/h2-6,14,17-23,25-26H,7H2,1H3/t14-,17-,18+,19+/m0/s1 |
| InChI Key | DLVIWTXNNUETST-WQANXHIZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O10 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of [2-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-hydroxy-4-methoxyphenyl]-(3,5-dihydroxyphenyl)methanone](https://plantaedb.com/storage/docs/compounds/2023/11/d8c26280-85f6-11ee-b1c3-690f17530952.jpg "2D Structure of [2-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-hydroxy-4-methoxyphenyl]-(3,5-dihydroxyphenyl)methanone")
| 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 | 97.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.71% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.00% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.79% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.13% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.32% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.48% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.44% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.96% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.49% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 84.17% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.77% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.40% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.96% | 95.93% |
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.
| Hypericum annulatum |
| PubChem | 5319218 |
| LOTUS | LTS0083276 |
| wikiData | Q104984730 |