Purpuroine B
| Internal ID | 5f1b173a-df9e-4d3d-b3e6-91ae1015403c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > D-alpha-amino acids |
| IUPAC Name | (2R)-4-(2,4-dibromophenoxy)-2-(trimethylazaniumyl)butanoate |
| SMILES (Canonical) | C[N+](C)(C)C(CCOC1=C(C=C(C=C1)Br)Br)C(=O)[O-] |
| SMILES (Isomeric) | C[N+](C)(C)[C@H](CCOC1=C(C=C(C=C1)Br)Br)C(=O)[O-] |
| InChI | InChI=1S/C13H17Br2NO3/c1-16(2,3)11(13(17)18)6-7-19-12-5-4-9(14)8-10(12)15/h4-5,8,11H,6-7H2,1-3H3/t11-/m1/s1 |
| InChI Key | WSYAJSUDDFHTBT-LLVKDONJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H17Br2NO3 |
| Molecular Weight | 395.09 g/mol |
| Exact Mass | 394.95547 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 4.00 |
| CHEMBL2204066 |
| BDBM50486141 |
| 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 | 97.89% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.01% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.42% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.57% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.88% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.81% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.43% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.14% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.42% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.49% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.39% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.62% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.22% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.68% | 90.00% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 80.13% | 95.71% |
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 | 71454033 |
| LOTUS | LTS0127071 |
| wikiData | Q105312203 |