[8-[[5-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methoxy]-3,7-dimethyl-8-oxoocta-2,6-dienyl] 8-hydroxy-2,6-dimethylocta-2,6-dienoate
| Internal ID | 6751db38-683b-4327-a40a-4db123d242a2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | [8-[[5-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methoxy]-3,7-dimethyl-8-oxoocta-2,6-dienyl] 8-hydroxy-2,6-dimethylocta-2,6-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H50O14/c1-19(11-14-36)7-5-9-21(3)31(42)44-15-12-20(2)8-6-10-22(4)32(43)46-18-35-25-23(26(38)30(35)49-35)13-16-45-33(25)48-34-29(41)28(40)27(39)24(17-37)47-34/h9-13,16,23-30,33-34,36-41H,5-8,14-15,17-18H2,1-4H3 |
| InChI Key | VMNHMZPQGFCPAY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H50O14 |
| Molecular Weight | 694.80 g/mol |
| Exact Mass | 694.32005626 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of [8-[[5-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methoxy]-3,7-dimethyl-8-oxoocta-2,6-dienyl] 8-hydroxy-2,6-dimethylocta-2,6-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/a9703e40-859e-11ee-b125-4b7e51d5d457.jpg "2D Structure of [8-[[5-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methoxy]-3,7-dimethyl-8-oxoocta-2,6-dienyl] 8-hydroxy-2,6-dimethylocta-2,6-dienoate")
| 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 | 98.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.25% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.23% | 94.73% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.67% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.08% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.81% | 99.17% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.20% | 91.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.15% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.84% | 94.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.80% | 97.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.68% | 92.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.12% | 94.23% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.86% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.94% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.40% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.39% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.26% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.16% | 86.33% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.83% | 94.97% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.81% | 98.75% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.49% | 92.32% |
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.
| Penstemon newberryi |
| PubChem | 162874578 |
| LOTUS | LTS0094758 |
| wikiData | Q105289094 |