4-Amino-4-deoxychorismic acid
| Internal ID | 8e5f5646-7938-4d27-9f8f-258baf0dae9e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | (3R,4R)-4-amino-3-(1-carboxyethenoxy)cyclohexa-1,5-diene-1-carboxylic acid |
| SMILES (Canonical) | C=C(C(=O)O)OC1C=C(C=CC1N)C(=O)O |
| SMILES (Isomeric) | C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1N)C(=O)O |
| InChI | InChI=1S/C10H11NO5/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1 |
| InChI Key | OIUJHGOLFKDBSU-HTQZYQBOSA-N |
| Popularity | 14 references in papers |
| Molecular Formula | C10H11NO5 |
| Molecular Weight | 225.20 g/mol |
| Exact Mass | 225.06372245 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | -2.30 |
| 4-amino-4-deoxychorismate |
| 133442-18-9 |
| (3R,4R)-4-Amino-3-((1-carboxyvinyl)oxy)cyclohexa-1,5-diene-1-carboxylic acid |
| (3R,4R)-4-amino-3-[(1-carboxyethenyl)oxy]cyclohexa-1,5-diene-1-carboxylic acid |
| SCHEMBL364763 |
| CHEBI:18198 |
| DTXSID201344813 |
| Q27102892 |
| (3R,4R)-4-amino-3-(1-carboxyethenoxy)cyclohexa-1,5-diene-1-carboxylic acid |
| (3R,4R)-4-amino-3-[(1-carboxyeth-1-en-1-yl)oxy]cyclohexa-1,5-diene-1-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.74% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.28% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.97% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.01% | 91.11% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.01% | 94.97% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.48% | 94.45% |
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 | 443142 |
| LOTUS | LTS0124048 |
| wikiData | Q27102892 |