[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl] 1H-indole-3-carboxylate
| Internal ID | 3d724fd6-b49c-4058-8f97-32677084b57c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives |
| IUPAC Name | [(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl] 1H-indole-3-carboxylate |
| SMILES (Canonical) | C1C(C(C(C(O1)OC(=O)C2=CNC3=CC=CC=C32)O)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=CNC3=CC=CC=C32)O)O)O |
| InChI | InChI=1S/C14H15NO6/c16-10-6-20-14(12(18)11(10)17)21-13(19)8-5-15-9-4-2-1-3-7(8)9/h1-5,10-12,14-18H,6H2/t10-,11+,12+,14-/m0/s1 |
| InChI Key | VANLGDRDLRCFJZ-SFTQSGBHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H15NO6 |
| Molecular Weight | 293.27 g/mol |
| Exact Mass | 293.08993720 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl] 1H-indole-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3r4r5s-345-trihydroxyoxan-2-yl-1h-indole-3-carboxylate.jpg "2D Structure of [(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl] 1H-indole-3-carboxylate")
| 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 | 98.36% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.67% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.07% | 95.56% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 90.97% | 92.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.74% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.70% | 98.75% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 89.10% | 83.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.31% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.61% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.19% | 89.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.94% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.14% | 88.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.89% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.61% | 99.23% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 83.12% | 85.83% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.73% | 93.03% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.28% | 83.10% |
| CHEMBL5028 | O14672 | ADAM10 | 81.10% | 97.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.95% | 94.62% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 80.23% | 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.
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| There are no matching plants. |
| PubChem | 163114250 |
| LOTUS | LTS0083938 |
| wikiData | Q105282864 |