3,4-Dihydroxy-5-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3-[(1-methoxyindol-3-yl)methyl]oxolan-2-one
| Internal ID | b8c21fd1-d42d-4acc-bdd0-a028fe585eb9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 3,4-dihydroxy-5-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3-[(1-methoxyindol-3-yl)methyl]oxolan-2-one |
| SMILES (Canonical) | CON1C=C(C2=CC=CC=C21)CC3(C(C(OC3=O)C(CO)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| SMILES (Isomeric) | CON1C=C(C2=CC=CC=C21)CC3(C(C(OC3=O)C(CO)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| InChI | InChI=1S/C22H29NO12/c1-32-23-7-10(11-4-2-3-5-12(11)23)6-22(31)19(29)18(35-21(22)30)14(9-25)34-20-17(28)16(27)15(26)13(8-24)33-20/h2-5,7,13-20,24-29,31H,6,8-9H2,1H3 |
| InChI Key | MVJFBVCVQFCINF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H29NO12 |
| Molecular Weight | 499.50 g/mol |
| Exact Mass | 499.16897536 g/mol |
| Topological Polar Surface Area (TPSA) | 201.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of 3,4-Dihydroxy-5-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3-[(1-methoxyindol-3-yl)methyl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/e311b220-8627-11ee-a00a-0997d100bff5.jpg "2D Structure of 3,4-Dihydroxy-5-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3-[(1-methoxyindol-3-yl)methyl]oxolan-2-one")
| 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 | 97.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.39% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.91% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.86% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.10% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.39% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.29% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.69% | 90.08% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.61% | 94.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.89% | 94.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.87% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.14% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.02% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.87% | 96.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.94% | 96.61% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.62% | 99.23% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 80.48% | 94.45% |
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.
| Eutrema salsugineum |
| PubChem | 162905756 |
| LOTUS | LTS0242451 |
| wikiData | Q105173076 |