7-Hydroxy-6,6-dimethyl-2-oxo-3-pentyl-1a,4a,7,8-tetrahydrooxireno[2,3-e]chromene-4-carbaldehyde
| Internal ID | 4fa518b7-47f1-4fe4-a2cd-f41c18f456a7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 7-hydroxy-6,6-dimethyl-2-oxo-3-pentyl-1a,4a,7,8-tetrahydrooxireno[2,3-e]chromene-4-carbaldehyde |
| SMILES (Canonical) | CCCCCC1=C(C2C3(CC(C(O2)(C)C)O)C(C1=O)O3)C=O |
| SMILES (Isomeric) | CCCCCC1=C(C2C3(CC(C(O2)(C)C)O)C(C1=O)O3)C=O |
| InChI | InChI=1S/C17H24O5/c1-4-5-6-7-10-11(9-18)14-17(15(22-17)13(10)20)8-12(19)16(2,3)21-14/h9,12,14-15,19H,4-8H2,1-3H3 |
| InChI Key | ODZUPGUSIOTTSS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O5 |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 1.30 |
| TN10386 |
| L010267 |
![2D Structure of 7-Hydroxy-6,6-dimethyl-2-oxo-3-pentyl-1a,4a,7,8-tetrahydrooxireno[2,3-e]chromene-4-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/7-hydroxy-66-dimethyl-2-oxo-3-pentyl-1a4a78-tetrahydrooxireno23-echromene-4-carbaldehyde.jpg "2D Structure of 7-Hydroxy-6,6-dimethyl-2-oxo-3-pentyl-1a,4a,7,8-tetrahydrooxireno[2,3-e]chromene-4-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.57% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.89% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.76% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.87% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.83% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.76% | 92.86% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.44% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.34% | 98.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.21% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.71% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.60% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.75% | 96.43% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.11% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.83% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.32% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.13% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.81% | 97.79% |
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 | 9839588 |
| LOTUS | LTS0054807 |
| wikiData | Q104193285 |