2,3,4,5-tetrahydroxypentyl 2-(1H-indol-3-yl)propanoate
| Internal ID | 1055b21e-f363-46f4-8d05-db6a7b52dbd3 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives > Indole-3-acetic acid derivatives |
| IUPAC Name | 2,3,4,5-tetrahydroxypentyl 2-(1H-indol-3-yl)propanoate |
| SMILES (Canonical) | CC(C1=CNC2=CC=CC=C21)C(=O)OCC(C(C(CO)O)O)O |
| SMILES (Isomeric) | CC(C1=CNC2=CC=CC=C21)C(=O)OCC(C(C(CO)O)O)O |
| InChI | InChI=1S/C16H21NO6/c1-9(11-6-17-12-5-3-2-4-10(11)12)16(22)23-8-14(20)15(21)13(19)7-18/h2-6,9,13-15,17-21H,7-8H2,1H3 |
| InChI Key | YBXVDDODTFXOHM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H21NO6 |
| Molecular Weight | 323.34 g/mol |
| Exact Mass | 323.13688739 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.36% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.41% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.41% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.36% | 95.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 88.03% | 87.45% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.49% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.26% | 98.75% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.38% | 83.10% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.16% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.92% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.84% | 94.45% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.84% | 89.67% |
| CHEMBL5028 | O14672 | ADAM10 | 80.72% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.53% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.38% | 92.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.32% | 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.
| There are no matching plants. |
| PubChem | 4480304 |
| LOTUS | LTS0079972 |
| wikiData | Q105346112 |