coumaroyl(3-OH)(-6)Glc(b)-O-coumaroyl
| Internal ID | 9480a531-9472-4530-b781-58d80d9e4f3b |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Hydroxycinnamic acid glycosides |
| IUPAC Name | [(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O |
| InChI | InChI=1S/C24H24O11/c25-15-6-1-13(2-7-15)4-10-20(29)35-24-23(32)22(31)21(30)18(34-24)12-33-19(28)9-5-14-3-8-16(26)17(27)11-14/h1-11,18,21-27,30-32H,12H2/b9-5+,10-4+/t18-,21-,22+,23-,24+/m1/s1 |
| InChI Key | GNSSUYVJEKYTCX-PYICDSEISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O11 |
| Molecular Weight | 488.40 g/mol |
| Exact Mass | 488.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 1.10 |
| 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 | 99.55% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.13% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 95.18% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.56% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.21% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.96% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.07% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.59% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.45% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.57% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.31% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.84% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.68% | 97.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.25% | 89.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.65% | 89.62% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.19% | 80.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.63% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.12% | 95.50% |
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.
| Prunus buergeriana |
| PubChem | 13989579 |
| LOTUS | LTS0235876 |
| wikiData | Q105013251 |