2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]amino]benzoic acid
| Internal ID | 9a5ae418-48a5-4ac6-a1ed-928bc86449e4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses > Pentose phosphates |
| IUPAC Name | 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]amino]benzoic acid |
| SMILES (Canonical) | C1=CC=C(C(=C1)C(=O)O)NC2C(C(C(O2)COP(=O)(O)O)O)O |
| SMILES (Isomeric) | C1=CC=C(C(=C1)C(=O)O)N[C@@H]2[C@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O |
| InChI | InChI=1S/C12H16NO9P/c14-9-8(5-21-23(18,19)20)22-11(10(9)15)13-7-4-2-1-3-6(7)12(16)17/h1-4,8-11,13-15H,5H2,(H,16,17)(H2,18,19,20)/t8-,9+,10+,11+/m1/s1 |
| InChI Key | PMFMJXPRNJUYMB-RCWTZXSCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H16NO9P |
| Molecular Weight | 349.23 g/mol |
| Exact Mass | 349.05626809 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | -1.20 |
| There are no found synonyms. |
![2D Structure of 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]amino]benzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2s3s4r5r-34-dihydroxy-5-phosphonooxymethyloxolan-2-ylaminobenzoic-acid.jpg "2D Structure of 2-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]amino]benzoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 95.48% | 87.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.85% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.55% | 90.17% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 93.11% | 97.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.19% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.15% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.70% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.43% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.78% | 95.56% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.20% | 81.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.80% | 93.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.35% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.61% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 83.99% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.24% | 99.23% |
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 80.77% | 92.50% |
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 | 163067780 |
| LOTUS | LTS0078675 |
| wikiData | Q105120678 |