Didemethylpseudoaspidin AA
| Internal ID | c2250d06-9fb3-4e6b-983f-2418bf6c9833 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylmethanes |
| IUPAC Name | 1-[3-[(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone |
| SMILES (Canonical) | CC(=O)C1=C(C=C(C(=C1O)CC2=C(C(=C(C=C2O)OC)C(=O)C)O)O)OC |
| SMILES (Isomeric) | CC(=O)C1=C(C=C(C(=C1O)CC2=C(C(=C(C=C2O)OC)C(=O)C)O)O)OC |
| InChI | InChI=1S/C19H20O8/c1-8(20)16-14(26-3)6-12(22)10(18(16)24)5-11-13(23)7-15(27-4)17(9(2)21)19(11)25/h6-7,22-25H,5H2,1-4H3 |
| InChI Key | SLIVGKVXFMMUFR-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H20O8 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 2.80 |
| 142382-28-3 |
| 1-[3-[(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone |
| 3,3'-Diacetyl-4,4'-dimethoxy-2,2',6,6'-tetrahydroxy diphenyl methane |
| AKOS040735852 |
| 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 | 97.11% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.88% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.71% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.26% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.34% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.28% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.20% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.11% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.85% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.67% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.65% | 90.20% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.38% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.44% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.06% | 99.15% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.33% | 96.95% |
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.
| Euphorbia ebracteolata |
| Euphorbia kansui |
| Euphorbia polycaulis |
| Taxus baccata |
| PubChem | 5316623 |
| NPASS | NPC117774 |
| LOTUS | LTS0007309 |
| wikiData | Q105255349 |