3-chloro-2-hydroxy-N-[6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
| Internal ID | af34ff80-4530-4dce-a2d6-8bdef1c9f7dd |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives > Salicylamides |
| IUPAC Name | 3-chloro-2-hydroxy-N-[6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H10ClNO6/c15-7-3-1-2-6(10(7)19)13(21)16-8-4-9(18)14(5-17)12(22-14)11(8)20/h1-4,12,17,19H,5H2,(H,16,21) |
| InChI Key | WJXATQQNIQELOK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H10ClNO6 |
| Molecular Weight | 323.68 g/mol |
| Exact Mass | 323.0196647 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 3-chloro-2-hydroxy-N-[6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/3-chloro-2-hydroxy-n-6-hydroxymethyl-25-dioxo-7-oxabicyclo410hept-3-en-3-ylbenzamide.jpg "2D Structure of 3-chloro-2-hydroxy-N-[6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.58% | 91.11% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 94.75% | 81.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.63% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.31% | 94.45% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 90.09% | 85.83% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.05% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.70% | 95.56% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 86.67% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.41% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.01% | 91.19% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 84.38% | 87.67% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.78% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.14% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.69% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.02% | 89.34% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 80.68% | 95.52% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.67% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.26% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 9862012 |
| LOTUS | LTS0059273 |
| wikiData | Q104200287 |