Citrinamide B
| Internal ID | 6a16ea2a-98ec-4e20-8041-161be8fef3ef |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives |
| IUPAC Name | 2,3-dihydroxypropyl 2-acetamido-5-[[3-[2-(2,2-dimethylbut-3-enoylamino)phenyl]-3-oxopropyl]amino]-5-oxopentanoate |
| SMILES (Canonical) | CC(=O)NC(CCC(=O)NCCC(=O)C1=CC=CC=C1NC(=O)C(C)(C)C=C)C(=O)OCC(CO)O |
| SMILES (Isomeric) | CC(=O)NC(CCC(=O)NCCC(=O)C1=CC=CC=C1NC(=O)C(C)(C)C=C)C(=O)OCC(CO)O |
| InChI | InChI=1S/C25H35N3O8/c1-5-25(3,4)24(35)28-19-9-7-6-8-18(19)21(32)12-13-26-22(33)11-10-20(27-16(2)30)23(34)36-15-17(31)14-29/h5-9,17,20,29,31H,1,10-15H2,2-4H3,(H,26,33)(H,27,30)(H,28,35) |
| InChI Key | OWDHSJUQOMMLKH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H35N3O8 |
| Molecular Weight | 505.60 g/mol |
| Exact Mass | 505.24241508 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | 0.50 |
| 2,3-Dihydroxypropyl 2-acetamido-5-[[3-[2-(2,2-dimethylbut-3-enoylamino)phenyl]-3-oxopropyl]amino]-5-oxopentanoate |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.07% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.30% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.61% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.72% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.84% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.82% | 89.34% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.93% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.66% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.46% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.44% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.30% | 100.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.17% | 94.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.22% | 94.62% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.05% | 97.53% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.96% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.83% | 91.07% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.14% | 100.00% |
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 | 25112049 |
| LOTUS | LTS0150253 |
| wikiData | Q105201929 |