2'-Deoxymugineic acid
| Internal ID | 5d701438-8dc8-4a4a-9ed5-e31dd0df93b3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Gamma amino acids and derivatives |
| IUPAC Name | (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]propyl]azetidine-2-carboxylic acid |
| SMILES (Canonical) | C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)O |
| SMILES (Isomeric) | C1CN([C@@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O |
| InChI | InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1 |
| InChI Key | CUZKLRTTYZOCSD-CIUDSAMLSA-N |
| Popularity | 56 references in papers |
| Molecular Formula | C12H20N2O7 |
| Molecular Weight | 304.30 g/mol |
| Exact Mass | 304.12705098 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | -5.70 |
| 74235-24-8 |
| 2'-Dma |
| 2 inverted exclamation marka-Deoxymugineic Acid |
| 1-Azetidinebutanoicacid, 2-carboxy-a-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-,(aS,2S)- |
| (2S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]propyl]azetidine-2-carboxylic acid |
| (2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azetidine-2-carboxylic acid |
| (2S)-1-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]azetidine-2-carboxylic acid |
| SCHEMBL1059538 |
| (13C4)-2'-deoxymugineic acid |
| CHEBI:19274 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.92% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.47% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.23% | 98.95% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 90.13% | 96.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.78% | 85.14% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 89.05% | 98.24% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.93% | 90.17% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.50% | 98.33% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 88.20% | 98.77% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.10% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.89% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.39% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.86% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.29% | 100.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.74% | 95.62% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.42% | 95.58% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.17% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.47% | 93.56% |
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.
| Avena sativa |
| Hordeum vulgare |
| Triticum aestivum |
| PubChem | 189811 |
| LOTUS | LTS0179552 |
| wikiData | Q27109156 |