[3,4-Dihydroxy-5-[[3,4,5-trihydroxy-6-[2-hydroxy-4-(hydroxymethyl)phenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Internal ID | d48cc4f5-ce1b-46c8-8da0-86678aa06ee3 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | [3,4-dihydroxy-5-[[3,4,5-trihydroxy-6-[2-hydroxy-4-(hydroxymethyl)phenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCC2(COC(C2O)OCC3C(C(C(C(O3)OC4=C(C=C(C=C4)CO)O)O)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OCC2(COC(C2O)OCC3C(C(C(C(O3)OC4=C(C=C(C=C4)CO)O)O)O)O)O)O |
InChI | InChI=1S/C28H34O15/c1-38-19-9-14(2-5-16(19)30)4-7-21(32)40-12-28(37)13-41-27(25(28)36)39-11-20-22(33)23(34)24(35)26(43-20)42-18-6-3-15(10-29)8-17(18)31/h2-9,20,22-27,29-31,33-37H,10-13H2,1H3 |
InChI Key | RIZNNSSMUSAGHA-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H34O15 |
Molecular Weight | 610.60 g/mol |
Exact Mass | 610.18977037 g/mol |
Topological Polar Surface Area (TPSA) | 234.00 Ų |
XlogP | -1.50 |
There are no found synonyms. |
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 | 99.48% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.56% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.54% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.30% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.70% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.70% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.71% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.90% | 97.09% |
CHEMBL3194 | P02766 | Transthyretin | 88.71% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.59% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.30% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.90% | 92.94% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.39% | 90.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.14% | 92.62% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.54% | 89.62% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.44% | 96.95% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.43% | 95.50% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.71% | 94.00% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.39% | 96.90% |
CHEMBL2535 | P11166 | Glucose transporter | 82.47% | 98.75% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.94% | 80.78% |
CHEMBL2581 | P07339 | Cathepsin D | 80.56% | 98.95% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.41% | 97.36% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.21% | 97.28% |
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.
Strychnos axillaris |
PubChem | 163100752 |
LOTUS | LTS0159144 |
wikiData | Q105237310 |