[(2R,3S,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] 2-(1H-indol-3-yl)acetate
| Internal ID | 9837fc11-9573-4581-bccb-7561170bf0de |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives > Indole-3-acetic acid derivatives |
| IUPAC Name | [(2R,3S,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] 2-(1H-indol-3-yl)acetate |
| SMILES (Canonical) | C1=CC=C2C(=C1)C(=CN2)CC(=O)OC3C(OC(C(C3O)O)O)CO |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CN2)CC(=O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@@H]3O)O)O)CO |
| InChI | InChI=1S/C16H19NO7/c18-7-11-15(13(20)14(21)16(22)23-11)24-12(19)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-18,20-22H,5,7H2/t11-,13+,14-,15-,16-/m1/s1 |
| InChI Key | XSNPKRVRWPBMKE-DPZJBDQQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H19NO7 |
| Molecular Weight | 337.32 g/mol |
| Exact Mass | 337.11615195 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | -0.80 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] 2-(1H-indol-3-yl)acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s4s5r6r-456-trihydroxy-2-hydroxymethyloxan-3-yl-2-1h-indol-3-ylacetate.jpg "2D Structure of [(2R,3S,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] 2-(1H-indol-3-yl)acetate")
| 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 | 99.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.58% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.60% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.54% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.46% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.02% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.50% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.95% | 97.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.46% | 94.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.35% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.95% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.42% | 86.92% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.85% | 97.79% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.39% | 83.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.56% | 88.56% |
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.
| Arabidopsis thaliana |
| PubChem | 154496032 |
| LOTUS | LTS0071034 |
| wikiData | Q105341127 |