4-[3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoic acid
| Internal ID | a7f2627b-fb57-4721-9e5a-06ee4290ac2e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives |
| IUPAC Name | 4-[3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoic acid |
| SMILES (Canonical) | CC1C(CC(C(O1)OC(C)CCC(=O)O)O)OC(=O)C2=CNC3=CC=CC=C32 |
| SMILES (Isomeric) | CC1C(CC(C(O1)OC(C)CCC(=O)O)O)OC(=O)C2=CNC3=CC=CC=C32 |
| InChI | InChI=1S/C20H25NO7/c1-11(7-8-18(23)24)26-20-16(22)9-17(12(2)27-20)28-19(25)14-10-21-15-6-4-3-5-13(14)15/h3-6,10-12,16-17,20-22H,7-9H2,1-2H3,(H,23,24) |
| InChI Key | GIZBXORWWXIWKX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO7 |
| Molecular Weight | 391.40 g/mol |
| Exact Mass | 391.16310214 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 4-[3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-3-hydroxy-5-1h-indole-3-carbonyloxy-6-methyloxan-2-yloxypentanoic-acid.jpg "2D Structure of 4-[3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoic 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 | 99.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.71% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.57% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.82% | 97.79% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.86% | 94.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.67% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.63% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.76% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 89.47% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.12% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.62% | 85.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.78% | 88.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.97% | 97.36% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.83% | 92.67% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.30% | 83.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.93% | 94.73% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.54% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.65% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.57% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.35% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.19% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.99% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.73% | 94.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.89% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.60% | 97.25% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.15% | 95.50% |
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 | 74951346 |
| LOTUS | LTS0122796 |
| wikiData | Q105178446 |