9-(4'-Aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxo-nonoic acid
| Internal ID | d05eec99-1d88-44d7-a97c-a4c273f19bc1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxononanoic acid |
| SMILES (Canonical) | CC(CC(C)C(C(C)C(=O)O)O)C(CC(=O)C1=CC=C(C=C1)N)O |
| SMILES (Isomeric) | CC(CC(C)C(C(C)C(=O)O)O)C(CC(=O)C1=CC=C(C=C1)N)O |
| InChI | InChI=1S/C18H27NO5/c1-10(8-11(2)17(22)12(3)18(23)24)15(20)9-16(21)13-4-6-14(19)7-5-13/h4-7,10-12,15,17,20,22H,8-9,19H2,1-3H3,(H,23,24) |
| InChI Key | UHZAKFDEIOBYGZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H27NO5 |
| Molecular Weight | 337.40 g/mol |
| Exact Mass | 337.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 1.60 |
| 9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxo-nonanoic acid |
| 9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxo-nonoic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.07% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.99% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.99% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.92% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.65% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.24% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.93% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.84% | 99.17% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 84.90% | 95.48% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.06% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.28% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.42% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.84% | 91.11% |
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 | 49777786 |
| LOTUS | LTS0135292 |
| wikiData | Q77573485 |