(2R)-2-[(1E,3S,5E,7E,9R,11S,12R,13S)-12-[(2R,3R,4S,5R,6R)-5-[(2S,4R,5R,6S)-5,6-dihydroxy-4-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,7,9,11,13-pentamethyl-10-oxohexadeca-1,5,7-trienyl]-2,3-dihydropyran-6-one
| Internal ID | 28cf4398-0779-4a65-9888-ebed16a0a80a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (2R)-2-[(1E,3S,5E,7E,9R,11S,12R,13S)-12-[(2R,3R,4S,5R,6R)-5-[(2S,4R,5R,6S)-5,6-dihydroxy-4-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,7,9,11,13-pentamethyl-10-oxohexadeca-1,5,7-trienyl]-2,3-dihydropyran-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H60O11/c1-9-12-23(4)35(49-38-34(43)33(42)36(27(8)45-38)47-30-20-25(6)32(41)37(44)48-30)26(7)31(40)24(5)19-22(3)14-10-13-21(2)17-18-28-15-11-16-29(39)46-28/h10-11,14,16-19,21,23-28,30,32-38,41-44H,9,12-13,15,20H2,1-8H3/b14-10+,18-17+,22-19+/t21-,23-,24+,25+,26+,27+,28+,30-,32+,33-,34+,35+,36-,37-,38-/m0/s1 |
| InChI Key | MVVVWLJVISCBCI-UVKKOFCCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H60O11 |
| Molecular Weight | 692.90 g/mol |
| Exact Mass | 692.41356273 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(1E,3S,5E,7E,9R,11S,12R,13S)-12-[(2R,3R,4S,5R,6R)-5-[(2S,4R,5R,6S)-5,6-dihydroxy-4-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,7,9,11,13-pentamethyl-10-oxohexadeca-1,5,7-trienyl]-2,3-dihydropyran-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/bbf3f020-8537-11ee-af21-536c3254f506.jpg "2D Structure of (2R)-2-[(1E,3S,5E,7E,9R,11S,12R,13S)-12-[(2R,3R,4S,5R,6R)-5-[(2S,4R,5R,6S)-5,6-dihydroxy-4-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,7,9,11,13-pentamethyl-10-oxohexadeca-1,5,7-trienyl]-2,3-dihydropyran-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.58% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.15% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.94% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.71% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.19% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.70% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.98% | 91.07% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.92% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.79% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.63% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.41% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.16% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.82% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.74% | 90.71% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.73% | 99.35% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.56% | 96.47% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.39% | 90.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.79% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.61% | 90.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.75% | 94.73% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.65% | 96.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.55% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.39% | 100.00% |
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 | 163105111 |
| LOTUS | LTS0070566 |
| wikiData | Q105173374 |