Orsellide B
| Internal ID | 0f46a110-2ffa-4701-94e4-a3b731748747 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | (5-hydroxy-6-methoxy-2-methyl-4-oxooxan-3-yl) 2,4-dihydroxy-6-methylbenzoate |
| SMILES (Canonical) | CC1C(C(=O)C(C(O1)OC)O)OC(=O)C2=C(C=C(C=C2C)O)O |
| SMILES (Isomeric) | CC1C(C(=O)C(C(O1)OC)O)OC(=O)C2=C(C=C(C=C2C)O)O |
| InChI | InChI=1S/C15H18O8/c1-6-4-8(16)5-9(17)10(6)14(20)23-13-7(2)22-15(21-3)12(19)11(13)18/h4-5,7,12-13,15-17,19H,1-3H3 |
| InChI Key | HKOJVRDYNQSPLM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O8 |
| Molecular Weight | 326.30 g/mol |
| Exact Mass | 326.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 1.30 |
| 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 | 96.52% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.34% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.12% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.57% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.50% | 95.64% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.48% | 97.36% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.99% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.56% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.51% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 86.25% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.21% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.91% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.50% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.38% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.66% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.04% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.79% | 90.00% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 80.68% | 95.70% |
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 | 73030948 |
| LOTUS | LTS0071436 |
| wikiData | Q105029830 |