Trichostatin D
| Internal ID | 69ea1bc2-3f94-4c72-8859-654a3129c50d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhepta-2,4-dienamide |
| SMILES (Canonical) | CC(C=C(C)C=CC(=O)NOC1C(C(C(C(O1)CO)O)O)O)C(=O)C2=CC=C(C=C2)N(C)C |
| SMILES (Isomeric) | C[C@H](/C=C(\C)/C=C/C(=O)NO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)C2=CC=C(C=C2)N(C)C |
| InChI | InChI=1S/C23H32N2O8/c1-13(11-14(2)19(28)15-6-8-16(9-7-15)25(3)4)5-10-18(27)24-33-23-22(31)21(30)20(29)17(12-26)32-23/h5-11,14,17,20-23,26,29-31H,12H2,1-4H3,(H,24,27)/b10-5+,13-11+/t14-,17-,20-,21+,22-,23-/m1/s1 |
| InChI Key | YECWTLGLNDDPGE-YPBJGXFISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H32N2O8 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.21586598 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 1.70 |
| CHEBI:39160 |
| 1-O-({(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl}amino)-alpha-D-glucopyranose |
| CHEMBL3353923 |
| Q27119760 |
| (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhepta-2,4-dienamide |
| 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 | 97.44% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.78% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.40% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.13% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.98% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.99% | 89.34% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.89% | 83.82% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.59% | 96.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.38% | 89.67% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.04% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.18% | 86.33% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 84.07% | 88.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.07% | 95.83% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.35% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.53% | 95.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.41% | 94.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.34% | 82.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.09% | 89.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 82.03% | 89.44% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.94% | 94.33% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 81.23% | 95.48% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.48% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.44% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.42% | 95.89% |
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 | 9847263 |
| LOTUS | LTS0130701 |
| wikiData | Q27119760 |