5-(6-O-malonyl-beta-D-glucosyloxy)-indole-3-carboxylic acid
| Internal ID | 2ca557d1-5a52-46dc-9515-69b5be84680c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 5-[(2S,3R,4S,5S,6R)-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1H-indole-3-carboxylic acid |
| SMILES (Canonical) | C1=CC2=C(C=C1OC3C(C(C(C(O3)COC(=O)CC(=O)O)O)O)O)C(=CN2)C(=O)O |
| SMILES (Isomeric) | C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CC(=O)O)O)O)O)C(=CN2)C(=O)O |
| InChI | InChI=1S/C18H19NO11/c20-12(21)4-13(22)28-6-11-14(23)15(24)16(25)18(30-11)29-7-1-2-10-8(3-7)9(5-19-10)17(26)27/h1-3,5,11,14-16,18-19,23-25H,4,6H2,(H,20,21)(H,26,27)/t11-,14-,15+,16-,18-/m1/s1 |
| InChI Key | WXIACXAKMZPXKX-AJZPPWIDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H19NO11 |
| Molecular Weight | 425.30 g/mol |
| Exact Mass | 425.09581042 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | -0.90 |
| 6-(Malonyl-GlcO)-I3CO2H |
| CHEBI:91163 |
| Q27163099 |
| 5-{[6-O-(carboxyacetyl)-beta-D-glucopyranosyl]oxy}-1H-indole-3-carboxylic 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 | 98.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.02% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.76% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.45% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.42% | 94.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.37% | 95.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.05% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.00% | 96.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.65% | 83.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.25% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.56% | 95.89% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.53% | 81.11% |
| CHEMBL2216739 | Q92523 | Carnitine O-palmitoyltransferase 1, muscle isoform | 82.74% | 88.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.23% | 95.56% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 82.14% | 82.86% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.74% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.36% | 94.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.70% | 97.36% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 80.58% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.40% | 94.33% |
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 | 121232649 |
| LOTUS | LTS0269701 |
| wikiData | Q27163099 |