Acromelic acid B
| Internal ID | babe5e1b-09e6-4130-8e47-0c0b4190bcbc |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Kainoids |
| IUPAC Name | 3-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H14N2O7/c16-8-2-1-5(11(15-8)13(21)22)7-4-14-10(12(19)20)6(7)3-9(17)18/h1-2,6-7,10,14H,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,10-/m0/s1 |
| InChI Key | YQDHGMPCSWNBFG-PJKMHFRUSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C13H14N2O7 |
| Molecular Weight | 310.26 g/mol |
| Exact Mass | 310.08010079 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | -4.00 |
| 86630-10-6 |
| 3-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxylic acid |
| V0973I7148 |
| DTXSID40235733 |
| 2-Pyridinecarboxylic acid, 3-((3S,4S,5S)-5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl)-1,6-dihydro-6-oxo- |
| 3-((3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxylic acid |
| RefChem:109420 |
| DTXCID70158224 |
| 3-((3S,4S,5S)-5-Carboxy-4-(carboxymethyl)pyrrolidin-3-yl)-6-oxo-1,6-dihydropyridine-2-carboxylic acid |
| 3-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1,6-dihydropyridine-2-carboxylic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.11% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.78% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.48% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.13% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.83% | 95.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.63% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.27% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.10% | 93.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 158974 |
| LOTUS | LTS0124690 |
| wikiData | Q27291372 |