Orsellinylmontagnetol D
| Internal ID | 5d6ca4fc-0f87-4a57-8f00-395089e0d4b7 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | [(2S,3R)-3,4-bis[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxybutyl] 2,4-dihydroxy-6-methylbenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H28O13/c1-12-4-15(29)7-18(32)23(12)26(36)39-10-21(35)22(41-28(38)25-14(3)6-17(31)9-20(25)34)11-40-27(37)24-13(2)5-16(30)8-19(24)33/h4-9,21-22,29-35H,10-11H2,1-3H3/t21-,22+/m0/s1 |
| InChI Key | ORDILPIXIUWRFL-FCHUYYIVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H28O13 |
| Molecular Weight | 572.50 g/mol |
| Exact Mass | 572.15299094 g/mol |
| Topological Polar Surface Area (TPSA) | 221.00 Ų |
| XlogP | 4.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.00% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.95% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.92% | 94.73% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.30% | 96.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.69% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.96% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.39% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.91% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.55% | 93.65% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.15% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.65% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.56% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.39% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.14% | 91.07% |
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.
| There are no matching plants. |
| PubChem | 139590800 |
| LOTUS | LTS0199420 |
| wikiData | Q105197471 |