4-Acetyloxy-5-amino-2,3,7-trihydroxy-6-phosphonooxythiocane-2,7-dicarboxylic acid
| Internal ID | d6186b33-7956-48fb-909d-d89351aa63c6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Delta amino acids and derivatives |
| IUPAC Name | 4-acetyloxy-5-amino-2,3,7-trihydroxy-6-phosphonooxythiocane-2,7-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H18NO13PS/c1-3(13)24-5-4(12)7(25-26(21,22)23)10(19,8(15)16)2-27-11(20,6(5)14)9(17)18/h4-7,14,19-20H,2,12H2,1H3,(H,15,16)(H,17,18)(H2,21,22,23) |
| InChI Key | NKSUZVXCNCOJHF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H18NO13PS |
| Molecular Weight | 435.30 g/mol |
| Exact Mass | 435.02364780 g/mol |
| Topological Polar Surface Area (TPSA) | 280.00 Ų |
| XlogP | -6.70 |
| There are no found synonyms. |
| 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 | 98.45% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.53% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.19% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.10% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.40% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.61% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.77% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.82% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.12% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.25% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.61% | 99.23% |
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 | 14217089 |
| LOTUS | LTS0127182 |
| wikiData | Q105180975 |