2-hydroxy-6-[2-[4-hydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]benzoic acid
| Internal ID | 583b9db6-d3cd-4e2c-9274-39cea15b8c9d |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | 2-hydroxy-6-[2-[4-hydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]benzoic acid |
| SMILES (Canonical) | C1=CC(=C(C(=C1)O)C(=O)O)CCC2=CC(=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C(=C1)O)C(=O)O)CCC2=CC(=C(C=C2)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChI | InChI=1S/C21H24O10/c22-9-15-17(25)18(26)19(27)21(31-15)30-14-8-10(5-7-12(14)23)4-6-11-2-1-3-13(24)16(11)20(28)29/h1-3,5,7-8,15,17-19,21-27H,4,6,9H2,(H,28,29)/t15-,17-,18+,19+,21-/m1/s1 |
| InChI Key | JVFJBTGULIZPEK-VEYVCITQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O10 |
| Molecular Weight | 436.40 g/mol |
| Exact Mass | 436.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-6-[2-[4-hydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]benzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/b56770e0-85c1-11ee-9bff-918ecce93411.jpg "2D Structure of 2-hydroxy-6-[2-[4-hydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]benzoic acid")
| 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 | 98.95% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.17% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.81% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.16% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.86% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.50% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 88.39% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.08% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.91% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.38% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.66% | 86.92% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.52% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.44% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.38% | 95.93% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.82% | 83.57% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.08% | 100.00% |
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.
| Ricciocarpos natans |
| PubChem | 162972153 |
| LOTUS | LTS0078808 |
| wikiData | Q105135672 |