Oxyplicacetin
| Internal ID | f723473f-c1c3-4800-80bb-b1d82c83fd9f |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Aminobenzoic acids and derivatives |
| IUPAC Name | 4-amino-N-[1-[(2R,4R,5S,6R)-5-[(1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H35N5O8/c1-12-23(38-17-10-15(31)20(29(2)3)22(34)21(17)33)16(32)11-19(37-12)30-9-8-18(28-25(30)36)27-24(35)13-4-6-14(26)7-5-13/h4-9,12,15-17,19-23,31-34H,10-11,26H2,1-3H3,(H,27,28,35,36)/t12-,15+,16-,17+,19-,20-,21+,22+,23-/m1/s1 |
| InChI Key | NJRKCURACRGUML-IIYKVCNPSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H35N5O8 |
| Molecular Weight | 533.60 g/mol |
| Exact Mass | 533.24856309 g/mol |
| Topological Polar Surface Area (TPSA) | 190.00 Ų |
| XlogP | -1.10 |
| 100108-92-7 |
| 4-amino-N-[1-[(2R,4R,5S,6R)-5-[(1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide |
| DTXSID90905212 |
| 4-[(4-Aminobenzoyl)imino]-1-{2,6-dideoxy-4-O-[4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]hexopyranosyl}-1,4-dihydropyrimidin-2-ol |
| 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 | 98.16% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.01% | 94.00% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 92.75% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.64% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.23% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.06% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.86% | 81.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.63% | 97.09% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 89.34% | 94.42% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 87.43% | 80.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.06% | 93.10% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 86.10% | 87.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.60% | 85.14% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.81% | 93.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.74% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.10% | 99.17% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.46% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.23% | 95.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.00% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.66% | 89.00% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 82.51% | 95.48% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.73% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.36% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.21% | 94.73% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.92% | 95.83% |
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.
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| There are no matching plants. |
| PubChem | 127483 |
| LOTUS | LTS0075946 |
| wikiData | Q82873613 |