(E,2S,4R)-2-[(2S,3S,4S,5R,6S)-2,4-dihydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one
| Internal ID | e216e3cf-1436-4043-934f-4c12dfd5ef35 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (E,2S,4R)-2-[(2S,3S,4S,5R,6S)-2,4-dihydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H40O5/c1-9-11-13(3)12-14(4)20(25)17(7)23(27)18(8)21(26)16(6)22(28-23)15(5)19(24)10-2/h11,14-18,21-22,26-27H,9-10,12H2,1-8H3/b13-11+/t14-,15-,16-,17+,18+,21+,22-,23-/m1/s1 |
| InChI Key | BFQWBQIYMSVPOL-JBVLJMNYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H40O5 |
| Molecular Weight | 396.60 g/mol |
| Exact Mass | 396.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (E,2S,4R)-2-[(2S,3S,4S,5R,6S)-2,4-dihydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/961ecad0-8671-11ee-b503-4fff5c771176.jpg "2D Structure of (E,2S,4R)-2-[(2S,3S,4S,5R,6S)-2,4-dihydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.28% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 96.60% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.28% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.75% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.61% | 96.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.37% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.92% | 96.47% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.76% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.41% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.35% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.77% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.38% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.21% | 94.80% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.95% | 95.71% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.40% | 98.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.72% | 98.59% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.57% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.46% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.10% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.04% | 90.17% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.09% | 83.10% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.30% | 85.31% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.25% | 91.19% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.24% | 89.34% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.15% | 94.00% |
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 | 163015916 |
| LOTUS | LTS0066633 |
| wikiData | Q104934748 |