[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
| Internal ID | 210e33f7-1dba-4ff0-af61-002bcc9747f2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)O)O)O |
| InChI | InChI=1S/C26H24O12/c27-14-5-1-12(2-6-14)21(31)20-17(30)9-16(29)10-18(20)37-26-24(34)23(33)22(32)19(38-26)11-36-25(35)13-3-7-15(28)8-4-13/h1-10,19,22-24,26-30,32-34H,11H2/t19-,22-,23+,24-,26-/m1/s1 |
| InChI Key | BPHXOCKZRLMPRN-BFEIJTHESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H24O12 |
| Molecular Weight | 528.50 g/mol |
| Exact Mass | 528.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/d3c38c40-8838-11ee-9be9-1b05b6c390d1.jpg "2D Structure of [(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3194 | P02766 | Transthyretin | 95.74% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.38% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.22% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.25% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.98% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.87% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.26% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.57% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.72% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.26% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.70% | 95.89% |
| CHEMBL3891 | P07384 | Calpain 1 | 83.06% | 93.04% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.26% | 85.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.14% | 95.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.76% | 90.71% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.52% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.13% | 98.95% |
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.
| Planchonella obovata |
| PubChem | 46193038 |
| LOTUS | LTS0108229 |
| wikiData | Q104942300 |