[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Internal ID | 5ed7d47f-937b-4b97-916d-379824256fd8 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
IUPAC Name | [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)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]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@@](CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O |
InChI | InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32+,33+,34-/m0/s1 |
InChI Key | JMBINOWGIHWPJI-UVCUIQGVSA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H44O19 |
Molecular Weight | 756.70 g/mol |
Exact Mass | 756.24767917 g/mol |
Topological Polar Surface Area (TPSA) | 304.00 Ų |
XlogP | -1.70 |
There are no found synonyms. |
![2D Structure of [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 2D Structure of [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/8cbd5710-8305-11ee-96cb-fbdf1e94179c.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 | 99.89% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.97% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 96.92% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.59% | 89.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 96.21% | 95.93% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.75% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.55% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.54% | 86.92% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.44% | 97.36% |
CHEMBL2581 | P07339 | Cathepsin D | 91.28% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.17% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.53% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.22% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.13% | 94.73% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.92% | 96.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.77% | 99.17% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.40% | 90.00% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.98% | 80.78% |
CHEMBL3194 | P02766 | Transthyretin | 83.36% | 90.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.73% | 95.89% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.15% | 96.37% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.90% | 93.18% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.09% | 92.94% |
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.
Jasminum nudiflorum |
PubChem | 163186462 |
LOTUS | LTS0167957 |
wikiData | Q105131237 |