Vulgaxanthin II
| Internal ID | f359d2c7-88fe-406e-a61a-70baa3e4dbb3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives |
| IUPAC Name | (4Z)-4-[2-(1,3-dicarboxypropylimino)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid |
| SMILES (Canonical) | C1C(NC(=CC1=CC=NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O |
| SMILES (Isomeric) | C\1C(NC(=C/C1=C\C=NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O |
| InChI | InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3+,15-4? |
| InChI Key | POYIZOSTYKKRNT-XFOJSVMWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16N2O8 |
| Molecular Weight | 340.28 g/mol |
| Exact Mass | 340.09066547 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | -0.50 |
| 4-[[(1,3-Dicarboxypropyl)imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid, 9CI |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.89% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.35% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.57% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.46% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.34% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.91% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.90% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.89% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.60% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.20% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.43% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.17% | 97.21% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.89% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.30% | 91.19% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.01% | 90.20% |
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.
| Beta vulgaris |
| Portulaca grandiflora |
| Portulaca oleracea |
| PubChem | 135870053 |
| LOTUS | LTS0069989 |
| wikiData | Q104388561 |