Upjohn culture 135bt
| Internal ID | 96ddc05c-aea8-45c2-9484-783790cd6d5c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | [5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37) |
| InChI Key | WVIUOSJLUCTGFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38N4O8 |
| Molecular Weight | 558.60 g/mol |
| Exact Mass | 558.26896418 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | 0.90 |
| 23668-11-3 |
| [5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate |
| NSC52947 |
| SK 27773 |
| U 15800 |
| U-15800 |
| CHEMBL1994414 |
| 1405-46-5 |
| Benzoic acid, 2-hydroxy-6-methyl-, (3-((3-acetylphenyl)amino)-4-amino-5-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-5-(1-hydroxyethyl)-2-methylcyclopentyl)methyl ester |
| UNII-18P04J5471; Upjohn culture 135bt; 18P04J5471 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 95.83% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.49% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.88% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.73% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.62% | 91.19% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.46% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.18% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.37% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.32% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.23% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.90% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.76% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.68% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.07% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.98% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.93% | 97.21% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.66% | 91.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.23% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.74% | 94.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.69% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 84.68% | 97.50% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.44% | 91.79% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 83.91% | 95.70% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.66% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.51% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.36% | 89.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.56% | 89.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.47% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.84% | 97.79% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.06% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.65% | 93.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.62% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.33% | 95.50% |
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 | 413861 |
| LOTUS | LTS0069912 |
| wikiData | Q105313548 |