2-methoxy-3,5-dimethyl-6-[(1S,3R,4R,5S,6R)-1,3,6-trimethyl-2-oxo-4-(3-oxopent-1-en-2-yl)-6-bicyclo[3.1.0]hexanyl]pyran-4-one
| Internal ID | 80f165b2-45ac-45f6-b376-71b13d62e891 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 2-methoxy-3,5-dimethyl-6-[(1S,3R,4R,5S,6R)-1,3,6-trimethyl-2-oxo-4-(3-oxopent-1-en-2-yl)-6-bicyclo[3.1.0]hexanyl]pyran-4-one |
| SMILES (Canonical) | CCC(=O)C(=C)C1C(C(=O)C2(C1C2(C)C3=C(C(=O)C(=C(O3)OC)C)C)C)C |
| SMILES (Isomeric) | CCC(=O)C(=C)[C@H]1[C@H](C(=O)[C@]2([C@@H]1[C@@]2(C)C3=C(C(=O)C(=C(O3)OC)C)C)C)C |
| InChI | InChI=1S/C22H28O5/c1-9-14(23)10(2)15-11(3)18(25)21(6)17(15)22(21,7)19-12(4)16(24)13(5)20(26-8)27-19/h11,15,17H,2,9H2,1,3-8H3/t11-,15+,17-,21-,22+/m1/s1 |
| InChI Key | AUWLGXGUAWEKFF-JVJMWDLUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O5 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 2-methoxy-3,5-dimethyl-6-[(1S,3R,4R,5S,6R)-1,3,6-trimethyl-2-oxo-4-(3-oxopent-1-en-2-yl)-6-bicyclo[3.1.0]hexanyl]pyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/a736f990-83d5-11ee-993c-f3ce1431fc0b.jpg "2D Structure of 2-methoxy-3,5-dimethyl-6-[(1S,3R,4R,5S,6R)-1,3,6-trimethyl-2-oxo-4-(3-oxopent-1-en-2-yl)-6-bicyclo[3.1.0]hexanyl]pyran-4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.95% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.51% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.33% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.11% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.67% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.97% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.85% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.94% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.52% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.27% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.96% | 97.28% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.80% | 96.77% |
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 | 162942694 |
| LOTUS | LTS0194556 |
| wikiData | Q104919203 |