[4-Hydroxy-5-(4-hydroxybenzoyl)oxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | 27472e0d-7baf-4f49-8e83-e6faaa312410 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [4-hydroxy-5-(4-hydroxybenzoyl)oxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C(=O)OC2C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)(COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C(=O)OC2C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)(COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O |
| InChI | InChI=1S/C34H28O20/c35-17-3-1-13(2-4-17)31(47)54-33-34(49,12-51-30(46)15-7-20(38)26(43)21(39)8-15)28(53-32(48)16-9-22(40)27(44)23(41)10-16)24(52-33)11-50-29(45)14-5-18(36)25(42)19(37)6-14/h1-10,24,28,33,35-44,49H,11-12H2 |
| InChI Key | SNMOFYXORHLALC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H28O20 |
| Molecular Weight | 756.60 g/mol |
| Exact Mass | 756.11739328 g/mol |
| Topological Polar Surface Area (TPSA) | 337.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [4-Hydroxy-5-(4-hydroxybenzoyl)oxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/a1f673f0-8646-11ee-aa5b-97777c0927e3.jpg "2D Structure of [4-Hydroxy-5-(4-hydroxybenzoyl)oxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate")
| 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 | 98.91% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.21% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.85% | 86.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.56% | 95.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.23% | 83.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.13% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.82% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.73% | 96.09% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.61% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.33% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.94% | 94.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.65% | 94.42% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.56% | 97.79% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.48% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.48% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.36% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.40% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.11% | 85.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.86% | 98.95% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.57% | 93.04% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.20% | 97.21% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.48% | 95.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.45% | 91.19% |
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.
| Hamamelis virginiana |
| PubChem | 85175321 |
| LOTUS | LTS0093985 |
| wikiData | Q105256568 |