(2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6S)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-4,6,8,10-tetrahydroxy-2-methoxy-13-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-3,7,9,11-tetramethyltridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoic acid
| Internal ID | b87921d0-a450-4d03-911a-7b3d234d9816 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6S)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-4,6,8,10-tetrahydroxy-2-methoxy-13-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-3,7,9,11-tetramethyltridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H68O11/c1-23(13-17-37(43)44)12-15-29(40)19-30-10-9-11-31(50-30)21-36(48-8)26(4)34(41)22-35(42)27(5)39(46)28(6)38(45)24(2)14-16-32-20-33(47-7)18-25(3)49-32/h9-10,12-13,17,24-36,38-42,45-46H,11,14-16,18-22H2,1-8H3,(H,43,44)/b17-13+,23-12+/t24-,25-,26-,27-,28-,29-,30+,31-,32-,33+,34-,35+,36-,38-,39-/m0/s1 |
| InChI Key | CFSBHVAVGWXPTQ-MXVSDOGASA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C39H68O11 |
| Molecular Weight | 712.90 g/mol |
| Exact Mass | 712.47616298 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6S)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-4,6,8,10-tetrahydroxy-2-methoxy-13-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-3,7,9,11-tetramethyltridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e90680e0-8594-11ee-8eae-81e03dea1aab.jpg "2D Structure of (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6S)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-4,6,8,10-tetrahydroxy-2-methoxy-13-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-3,7,9,11-tetramethyltridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.87% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.76% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.09% | 85.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.21% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.70% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.60% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.42% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.23% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.49% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.88% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.26% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.94% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.07% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.97% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.80% | 91.07% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.95% | 89.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.80% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.21% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.10% | 91.49% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.99% | 98.75% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.75% | 98.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.71% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.60% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.43% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.16% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.09% | 90.71% |
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.
| There are no matching plants. |
| PubChem | 162905749 |
| LOTUS | LTS0193717 |
| wikiData | Q104956922 |