3-Oxo-3-[[3,4,5-trihydroxy-6-[2-(hydroxymethyl)-5-propan-2-ylphenoxy]oxan-2-yl]methoxy]propanoic acid
| Internal ID | f258fead-b62f-46e6-8f12-7b509a7869f8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 3-oxo-3-[[3,4,5-trihydroxy-6-[2-(hydroxymethyl)-5-propan-2-ylphenoxy]oxan-2-yl]methoxy]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H26O10/c1-9(2)10-3-4-11(7-20)12(5-10)28-19-18(26)17(25)16(24)13(29-19)8-27-15(23)6-14(21)22/h3-5,9,13,16-20,24-26H,6-8H2,1-2H3,(H,21,22) |
| InChI Key | XFCVPXGZFSWBRI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O10 |
| Molecular Weight | 414.40 g/mol |
| Exact Mass | 414.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of 3-Oxo-3-[[3,4,5-trihydroxy-6-[2-(hydroxymethyl)-5-propan-2-ylphenoxy]oxan-2-yl]methoxy]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/a0cd1480-86c9-11ee-a7bd-39b3c1f10feb.jpg "2D Structure of 3-Oxo-3-[[3,4,5-trihydroxy-6-[2-(hydroxymethyl)-5-propan-2-ylphenoxy]oxan-2-yl]methoxy]propanoic 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 | 98.52% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.22% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.30% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.08% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.58% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.36% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.39% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.06% | 95.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.80% | 96.61% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.14% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.90% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.87% | 89.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.92% | 82.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.53% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 80.99% | 97.50% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.54% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.20% | 92.62% |
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.
| Monarda punctata |
| PubChem | 75287643 |
| LOTUS | LTS0076135 |
| wikiData | Q105326935 |