1-[2-(Furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-methoxycarbonyl-1-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
| Internal ID | 8c677cd3-956d-49e8-93e6-02a693dc9d49 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-methoxycarbonyl-1-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H36O13/c1-25(8-15(28)12-6-7-37-11-12)14-5-3-4-13(22(32)36-2)18(14)16(9-26(25,35)24(33)34)38-23-21(31)20(30)19(29)17(10-27)39-23/h6-7,11,14-17,19-21,23,27-31,35H,3-5,8-10H2,1-2H3,(H,33,34) |
| InChI Key | QZKZABIXVBXRMH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36O13 |
| Molecular Weight | 556.60 g/mol |
| Exact Mass | 556.21559120 g/mol |
| Topological Polar Surface Area (TPSA) | 217.00 Ų |
| XlogP | -1.20 |
| There are no found synonyms. |
![2D Structure of 1-[2-(Furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-methoxycarbonyl-1-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8fdbb8e0-8545-11ee-a5a1-11b6b5ffa2a5.jpg "2D Structure of 1-[2-(Furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-methoxycarbonyl-1-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic 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 | 98.86% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.39% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.35% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.19% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.53% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.16% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.94% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.95% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.93% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.43% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.47% | 92.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.36% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.13% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.12% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.35% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.18% | 92.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.89% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.58% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.49% | 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.
| Tinospora cordifolia |
| PubChem | 162847295 |
| LOTUS | LTS0129892 |
| wikiData | Q105232140 |