[(2R,3R,4S,5R,6R)-6-[(2S)-4-(3,4-dimethoxyphenyl)butan-2-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Internal ID | d36a0f4f-96f7-406f-8ee3-f303e972f4c0 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
IUPAC Name | [(2R,3R,4S,5R,6R)-6-[(2S)-4-(3,4-dimethoxyphenyl)butan-2-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC(C)CCC3=CC(=C(C=C3)OC)OC)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@@H](C)CCC3=CC(=C(C=C3)OC)OC)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O |
InChI | InChI=1S/C33H44O15/c1-16(5-6-19-8-11-22(42-3)23(14-19)43-4)45-33-30(41)31(48-32-29(40)28(39)26(37)17(2)46-32)27(38)24(47-33)15-44-25(36)12-9-18-7-10-20(34)21(35)13-18/h7-14,16-17,24,26-35,37-41H,5-6,15H2,1-4H3/b12-9+/t16-,17-,24+,26-,27+,28+,29+,30+,31-,32-,33+/m0/s1 |
InChI Key | XZJRUSJBBUMNLT-OUUHPMSYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C33H44O15 |
Molecular Weight | 680.70 g/mol |
Exact Mass | 680.26802069 g/mol |
Topological Polar Surface Area (TPSA) | 223.00 Ų |
XlogP | 0.90 |
There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6R)-6-[(2S)-4-(3,4-dimethoxyphenyl)butan-2-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 2D Structure of [(2R,3R,4S,5R,6R)-6-[(2S)-4-(3,4-dimethoxyphenyl)butan-2-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3900aec0-85dc-11ee-ab57-b364138769a9.jpg)
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 | 99.59% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.56% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.12% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.60% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.63% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.91% | 99.17% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.66% | 89.00% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.78% | 97.31% |
CHEMBL2581 | P07339 | Cathepsin D | 91.81% | 98.95% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.24% | 90.71% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 90.42% | 85.31% |
CHEMBL2535 | P11166 | Glucose transporter | 89.64% | 98.75% |
CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 89.29% | 100.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.87% | 94.73% |
CHEMBL3194 | P02766 | Transthyretin | 88.65% | 90.71% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.91% | 95.89% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.20% | 95.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.86% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.95% | 95.56% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.71% | 92.94% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.14% | 86.92% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.86% | 89.50% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.92% | 94.45% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.51% | 92.62% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.75% | 85.14% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.69% | 97.36% |
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.
Sideritis raeseri |
PubChem | 163195602 |
LOTUS | LTS0253105 |
wikiData | Q105344980 |