2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
| Internal ID | a8c46476-d194-41f9-a045-8b408908be6a |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | 2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide |
| SMILES (Canonical) | C1=CC=C(C(=C1)C(=O)NC2=CC(=O)C3(C(C2O)O3)CO)O |
| SMILES (Isomeric) | C1=CC=C(C(=C1)C(=O)NC2=CC(=O)C3(C(C2O)O3)CO)O |
| InChI | InChI=1S/C14H13NO6/c16-6-14-10(18)5-8(11(19)12(14)21-14)15-13(20)7-3-1-2-4-9(7)17/h1-5,11-12,16-17,19H,6H2,(H,15,20) |
| InChI Key | JNDISHBDOZQLTR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H13NO6 |
| Molecular Weight | 291.26 g/mol |
| Exact Mass | 291.07428713 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-n-2-hydroxy-6-hydroxymethyl-5-oxo-7-oxabicyclo410hept-3-en-3-ylbenzamide.jpg "2D Structure of 2-hydroxy-N-[2-hydroxy-6-(hydroxymethyl)-5-oxo-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 | 98.78% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.60% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.19% | 99.23% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 87.76% | 95.52% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.60% | 91.07% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.31% | 81.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.15% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.06% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.85% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.82% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.67% | 98.95% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.19% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 78301692 |
| LOTUS | LTS0058326 |
| wikiData | Q104169695 |