beta-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 6-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-
Internal ID | 0e6b1d66-6770-4362-9480-b4aaf7e8d5d6 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
IUPAC Name | [3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)OC)O)COC(=O)C=CC4=CC(=C(C=C4)O)OC)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)OC)O)COC(=O)C=CC4=CC(=C(C=C4)O)OC)O)O)O)O |
InChI | InChI=1S/C31H40O15/c1-15-24(35)26(37)27(38)31(44-15)46-29-25(36)22(14-43-23(34)9-6-16-4-7-18(32)21(13-16)41-3)45-30(28(29)39)42-11-10-17-5-8-20(40-2)19(33)12-17/h4-9,12-13,15,22,24-33,35-39H,10-11,14H2,1-3H3 |
InChI Key | NFTBVWKAIZBSRS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H40O15 |
Molecular Weight | 652.60 g/mol |
Exact Mass | 652.23672056 g/mol |
Topological Polar Surface Area (TPSA) | 223.00 Ų |
XlogP | 0.10 |
B0005-189539 |
![2D Structure of beta-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 6-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)- 2D Structure of beta-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 6-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-](https://plantaedb.com/storage/docs/compounds/2023/11/8bb54e70-85d9-11ee-81ec-35437a4e4cdc.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 |
---|---|---|---|---|
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 99.08% | 86.33% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.07% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.65% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.35% | 96.00% |
CHEMBL3194 | P02766 | Transthyretin | 95.64% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.71% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.63% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.94% | 94.73% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.37% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.04% | 95.56% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.91% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.90% | 95.89% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.57% | 80.78% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.58% | 94.45% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.32% | 90.71% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.98% | 85.31% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.60% | 95.89% |
CHEMBL2581 | P07339 | Cathepsin D | 81.59% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.31% | 94.00% |
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!
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PubChem | 124222280 |
LOTUS | LTS0151863 |
wikiData | Q104398948 |