1,4,6-trimethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-pyrido[3,2-g]quinoline-2,8-dione
| Internal ID | cbafe10b-96d7-4266-90db-65acad444d01 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 1,4,6-trimethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-pyrido[3,2-g]quinoline-2,8-dione |
| SMILES (Canonical) | CC1=CC(=O)NC2=C(C3=C(C=C12)C(=CC(=O)N3C)C)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | CC1=CC(=O)NC2=C(C3=C(C=C12)C(=CC(=O)N3C)C)OC4C(C(C(C(O4)CO)O)O)O |
| InChI | InChI=1S/C21H24N2O8/c1-8-4-13(25)22-15-10(8)6-11-9(2)5-14(26)23(3)16(11)20(15)31-21-19(29)18(28)17(27)12(7-24)30-21/h4-6,12,17-19,21,24,27-29H,7H2,1-3H3,(H,22,25) |
| InChI Key | WZSDZTIYWMMDGG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24N2O8 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.15326573 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of 1,4,6-trimethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-pyrido[3,2-g]quinoline-2,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/71e4c290-85af-11ee-ba4c-fd893e5b9b4d.jpg "2D Structure of 1,4,6-trimethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-pyrido[3,2-g]quinoline-2,8-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.29% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.65% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.61% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.18% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.43% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.01% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.28% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.80% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.70% | 91.11% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.55% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.92% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.10% | 99.17% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.00% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.50% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.67% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.43% | 90.08% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.30% | 96.43% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.26% | 89.62% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162961876 |
| LOTUS | LTS0212837 |
| wikiData | Q104200778 |