(4,4,7,8-Tetramethyl-11-oxo-10-tricyclo[5.4.0.02,9]undecanyl) 6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylate
| Internal ID | 041fc5e6-0cd5-457c-8d73-1572ac05b303 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (4,4,7,8-tetramethyl-11-oxo-10-tricyclo[5.4.0.02,9]undecanyl) 6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H36O10/c1-11-16-15-10-26(2,3)5-6-27(11,4)17(15)18(30)22(16)36-24(34)23-20(32)19(31)21(33)25(37-23)35-14-8-12(28)7-13(29)9-14/h7-9,11,15-17,19-23,25,28-29,31-33H,5-6,10H2,1-4H3 |
| InChI Key | VNOKNARUVZBJAJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36O10 |
| Molecular Weight | 520.60 g/mol |
| Exact Mass | 520.23084734 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (4,4,7,8-Tetramethyl-11-oxo-10-tricyclo[5.4.0.02,9]undecanyl) 6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/53eedbe0-85f2-11ee-ad1b-ed24226db605.jpg "2D Structure of (4,4,7,8-Tetramethyl-11-oxo-10-tricyclo[5.4.0.02,9]undecanyl) 6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylate")
| 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 | 98.78% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.89% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.18% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.93% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.94% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.57% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.02% | 91.07% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.16% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.41% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.41% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.24% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.15% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.84% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.67% | 99.23% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.34% | 97.53% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.59% | 96.38% |
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.
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| There are no matching plants. |
| PubChem | 162962869 |
| LOTUS | LTS0196258 |
| wikiData | Q105289787 |