galloyl(-3)Glc(b)-O-coumaroyl
| Internal ID | c05f928e-a7c0-48a4-98f5-8d0019782cf7 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Hydroxycinnamic acid glycosides |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-4-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)OC(=O)C3=CC(=C(C(=C3)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)CO)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O |
| InChI | InChI=1S/C22H22O12/c23-9-15-18(29)20(34-21(31)11-7-13(25)17(28)14(26)8-11)19(30)22(32-15)33-16(27)6-3-10-1-4-12(24)5-2-10/h1-8,15,18-20,22-26,28-30H,9H2/b6-3+/t15-,18-,19-,20+,22+/m1/s1 |
| InChI Key | QBHFEZBXVAOTDL-VUIICEKXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O12 |
| Molecular Weight | 478.40 g/mol |
| Exact Mass | 478.11112613 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | 0.90 |
| 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 | 99.62% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 97.76% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.54% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.33% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.46% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.49% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.60% | 96.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 89.18% | 89.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.67% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.59% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.45% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.03% | 95.56% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.39% | 83.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.10% | 85.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.85% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.77% | 90.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.73% | 95.64% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.98% | 86.92% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.58% | 91.71% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 81.62% | 88.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.42% | 97.53% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.25% | 95.89% |
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.
| Balanophora harlandii |
| PubChem | 44477820 |
| LOTUS | LTS0116276 |
| wikiData | Q105217789 |