2-[[6-[3,5-Dihydroxy-2-(14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy)-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
| Internal ID | c90c25d0-2db6-4364-abfb-f602f26a5054 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 2-[[6-[3,5-dihydroxy-2-(14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy)-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)O)C)C)C)C)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)O)C)C)C)C)O)O)O)O)O)O)O |
| InChI | InChI=1S/C38H64O15/c1-8-38(7,47)17-11-16-21(3)13-9-12-20(2)14-10-15-22(4)18-48-36-33(46)34(27(40)24(6)51-36)53-37-32(45)30(43)28(41)25(52-37)19-49-35-31(44)29(42)26(39)23(5)50-35/h8,12,15-16,23-37,39-47H,1,9-11,13-14,17-19H2,2-7H3 |
| InChI Key | AGRJZSOWGZQCFB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H64O15 |
| Molecular Weight | 760.90 g/mol |
| Exact Mass | 760.42452133 g/mol |
| Topological Polar Surface Area (TPSA) | 237.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 2-[[6-[3,5-Dihydroxy-2-(14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy)-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/50c78380-87bf-11ee-ac99-9dea00f527ed.jpg "2D Structure of 2-[[6-[3,5-Dihydroxy-2-(14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy)-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol")
| 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 | 96.02% | 91.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 95.80% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.20% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.89% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.93% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.38% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.10% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.76% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.65% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.22% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.43% | 92.08% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.01% | 97.47% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.44% | 96.90% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.10% | 96.47% |
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.
| Capsicum annuum |
| PubChem | 73109136 |
| LOTUS | LTS0128078 |
| wikiData | Q104911992 |