methyl 3-hydroxy-5-[3-hydroxy-1-[[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]oxy]-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate
| Internal ID | 3a34bf6c-fe86-42ab-b52f-b6d06e972e5c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | methyl 3-hydroxy-5-[3-hydroxy-1-[[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]oxy]-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H36O14/c1-9-13(29)6-11(15(9)23(34)35-3)12(7-27)22(33)38-20-10-4-5-36-24(16(10)26(2)21(20)40-26)39-25-19(32)18(31)17(30)14(8-28)37-25/h4-5,10-14,16-21,24-25,27-32H,6-8H2,1-3H3/t10?,11?,12?,13?,14-,16?,17-,18+,19-,20?,21?,24?,25+,26?/m1/s1 |
| InChI Key | QXWRKKAWHODYQB-ARQBNGOPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H36O14 |
| Molecular Weight | 572.60 g/mol |
| Exact Mass | 572.21050582 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | -2.60 |
| There are no found synonyms. |
![2D Structure of methyl 3-hydroxy-5-[3-hydroxy-1-[[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]oxy]-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b0456f30-86f7-11ee-8985-a9f757d0525f.jpg "2D Structure of methyl 3-hydroxy-5-[3-hydroxy-1-[[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]oxy]-1-oxopropan-2-yl]-2-methylcyclopentene-1-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.32% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 93.12% | 91.24% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.55% | 83.82% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.98% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.77% | 94.45% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.50% | 97.47% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.96% | 89.63% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.72% | 94.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.10% | 96.90% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.86% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.73% | 94.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.12% | 96.61% |
| CHEMBL5028 | O14672 | ADAM10 | 85.23% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.16% | 97.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.19% | 95.83% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.01% | 90.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.81% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.41% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.27% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.82% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.72% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.64% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.80% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.49% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.33% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.60% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.26% | 91.07% |
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 japonica |
| PubChem | 101420726 |
| LOTUS | LTS0059697 |
| wikiData | Q105229934 |