[4-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
Internal ID | 19386cb5-4689-4391-949b-ff21c9cbd8c9 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
IUPAC Name | [4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C1C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)(CO)O |
SMILES (Isomeric) | C1C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)(CO)O |
InChI | InChI=1S/C28H34O15/c29-11-20-23(42-21(35)6-3-14-1-4-16(31)18(33)9-14)24(43-27-25(37)28(38,12-30)13-40-27)22(36)26(41-20)39-8-7-15-2-5-17(32)19(34)10-15/h1-6,9-10,20,22-27,29-34,36-38H,7-8,11-13H2 |
InChI Key | MOOYCEWTRITIQB-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) | 245.00 Ų |
XlogP | -0.60 |
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 | 99.86% | 91.11% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 96.21% | 95.93% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.20% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.83% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.17% | 86.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.69% | 86.92% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.21% | 97.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.34% | 96.00% |
CHEMBL3194 | P02766 | Transthyretin | 89.90% | 90.71% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.49% | 94.62% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.23% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.30% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.89% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 84.26% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.24% | 95.89% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.70% | 97.28% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.49% | 94.73% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.07% | 96.37% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.04% | 91.19% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.71% | 94.33% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.47% | 96.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.46% | 90.00% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.45% | 93.18% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 80.01% | 91.49% |
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.
Calceolaria polifolia |
Lantana camara |
Lantana radula |
Lippia alba |
Momordica charantia |
Retzia capensis |
Strobilanthes cusia |
PubChem | 72783720 |
LOTUS | LTS0139753 |
wikiData | Q104389914 |