4-[2-(4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl)ethyl]-2-(2-oxopropyl)-2H-furan-5-one
| Internal ID | 313282ba-13d1-4168-af70-bc6262b8a994 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 4-[2-(4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl)ethyl]-2-(2-oxopropyl)-2H-furan-5-one |
| SMILES (Canonical) | CC1CC(C=C(C1(C)CCC2=CC(OC2=O)CC(=O)C)C)O |
| SMILES (Isomeric) | CC1CC(C=C(C1(C)CCC2=CC(OC2=O)CC(=O)C)C)O |
| InChI | InChI=1S/C18H26O4/c1-11-7-15(20)8-12(2)18(11,4)6-5-14-10-16(9-13(3)19)22-17(14)21/h7,10,12,15-16,20H,5-6,8-9H2,1-4H3 |
| InChI Key | ZBNCCHSTFXTEQU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26O4 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 4-[2-(4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl)ethyl]-2-(2-oxopropyl)-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-4-hydroxy-126-trimethylcyclohex-2-en-1-ylethyl-2-2-oxopropyl-2h-furan-5-one.jpg "2D Structure of 4-[2-(4-hydroxy-1,2,6-trimethylcyclohex-2-en-1-yl)ethyl]-2-(2-oxopropyl)-2H-furan-5-one")
| 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 | 95.45% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.25% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.03% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.63% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.40% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.89% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.03% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.97% | 99.23% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.89% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.21% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.63% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.05% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.87% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.81% | 89.00% |
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 | 162893496 |
| LOTUS | LTS0088913 |
| wikiData | Q105370721 |