[(1S,2R,4S,5S,6R,10S)-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E)-2-[(3aR,6aR)-3-oxo-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6-ylidene]propanoate
| Internal ID | 3bd901ff-307f-4fa8-a9ff-5081b9e3c7a3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [(1S,2R,4S,5S,6R,10S)-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E)-2-[(3aR,6aR)-3-oxo-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6-ylidene]propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H32O12/c1-9(10-3-4-11-13(10)8-33-22(11)31)21(30)35-19-12-5-6-32-23(15(12)25(2)20(19)37-25)36-24-18(29)17(28)16(27)14(7-26)34-24/h5-6,11-20,23-24,26-29H,3-4,7-8H2,1-2H3/b10-9+/t11-,12-,13+,14-,15-,16-,17+,18-,19+,20+,23+,24+,25-/m1/s1 |
| InChI Key | ZGPQQGWHYOLIQG-SNPVLAAWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H32O12 |
| Molecular Weight | 524.50 g/mol |
| Exact Mass | 524.18937645 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,4S,5S,6R,10S)-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E)-2-[(3aR,6aR)-3-oxo-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6-ylidene]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/b3b276f0-855e-11ee-8aaa-6d3624398718.jpg "2D Structure of [(1S,2R,4S,5S,6R,10S)-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E)-2-[(3aR,6aR)-3-oxo-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6-ylidene]propanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.68% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.13% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.93% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.84% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.87% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.11% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.18% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.13% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.55% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.39% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.15% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.61% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.16% | 95.93% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.29% | 91.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.85% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.81% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.70% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.57% | 86.92% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.58% | 92.62% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.51% | 95.83% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.27% | 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.
| Linaria arcusangeli |
| PubChem | 101696492 |
| LOTUS | LTS0088632 |
| wikiData | Q105375358 |