1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate
| Internal ID | 6920e9c4-fab0-4bd8-891f-00bd35407310 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses > Pentose phosphates |
| IUPAC Name | 2-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]amino]benzoic acid |
| SMILES (Canonical) | C1=CC=C(C(=C1)C(=O)O)NCC(=O)C(C(COP(=O)(O)O)O)O |
| SMILES (Isomeric) | C1=CC=C(C(=C1)C(=O)O)NCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O |
| InChI | InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)/t10-,11+/m1/s1 |
| InChI Key | QKMBYNRMPRKVTO-MNOVXSKESA-N |
| Popularity | 36 references in papers |
| Molecular Formula | C12H16NO9P |
| Molecular Weight | 349.23 g/mol |
| Exact Mass | 349.05626809 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | -1.30 |
| 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate |
| 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribulose |
| 2-(((3R,4R)-3,4-Dihydroxy-2-oxo-5-(phosphonooxy)pentyl)amino)benzoic acid |
| 1-(2-carboxyphenylamino)-1-deoxy-D-erythro-pent-2-ulose 5-(dihydrogen phosphate) |
| 1-(2-Carboxyphenylamino)-1-deoxyribulose 5-phosphate |
| C01302 |
| SCHEMBL848980 |
| CHEBI:29112 |
| DTXSID70975019 |
| 1-(o-carboxyphenylamino)-1-deoxyribulose 5-phosphate |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.15% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.26% | 90.17% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 93.24% | 87.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.08% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.10% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.39% | 94.73% |
| CHEMBL3308 | P55212 | Caspase-6 | 85.72% | 97.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.65% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.55% | 99.17% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 85.38% | 93.81% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.34% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.28% | 95.56% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.51% | 81.11% |
| CHEMBL4531 | P17931 | Galectin-3 | 81.07% | 96.90% |
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 80.82% | 92.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.58% | 94.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.49% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.16% | 97.29% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.10% | 93.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.04% | 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.
| Arabidopsis thaliana |
| PubChem | 446894 |
| LOTUS | LTS0197006 |
| wikiData | Q27104067 |