(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E,2R)-4-[(1S,4S)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-yl]oxyoxane-3,4,5-triol
| Internal ID | aaa571cd-106a-4541-a63b-c244c72a49c1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E,2R)-4-[(1S,4S)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13-21,25-32H,8-11H2,1-4H3/b6-5+/t13-,14-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1 |
| InChI Key | FCEJNLVNFSUDTK-YGCAXVGFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H40O12 |
| Molecular Weight | 520.60 g/mol |
| Exact Mass | 520.25197671 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | -2.70 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E,2R)-4-[(1S,4S)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-yl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/c46f4150-86d4-11ee-bfb7-191f57bfcdba.jpg "2D Structure of (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E,2R)-4-[(1S,4S)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-yl]oxyoxane-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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.60% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.73% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.66% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.13% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.05% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.75% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.72% | 97.09% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 87.11% | 97.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.18% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.92% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.74% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.73% | 96.47% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.15% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.44% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.06% | 86.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.81% | 89.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.30% | 92.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.92% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.64% | 98.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.38% | 97.36% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.26% | 92.32% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.23% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.81% | 97.21% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.74% | 90.24% |
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.
| Cydonia oblonga |
| PubChem | 163031511 |
| LOTUS | LTS0083035 |
| wikiData | Q104993098 |