5-(2,3-Dihydroxy-2-methyl-6-bicyclo[3.1.0]hexanyl)-6-methylheptan-2-one
| Internal ID | 00b8a7d9-6aa1-4628-9081-1c2edb23d573 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 5-(2,3-dihydroxy-2-methyl-6-bicyclo[3.1.0]hexanyl)-6-methylheptan-2-one |
| SMILES (Canonical) | CC(C)C(CCC(=O)C)C1C2C1C(C(C2)O)(C)O |
| SMILES (Isomeric) | CC(C)C(CCC(=O)C)C1C2C1C(C(C2)O)(C)O |
| InChI | InChI=1S/C15H26O3/c1-8(2)10(6-5-9(3)16)13-11-7-12(17)15(4,18)14(11)13/h8,10-14,17-18H,5-7H2,1-4H3 |
| InChI Key | PPRCOGDWNFLANH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 5-(2,3-Dihydroxy-2-methyl-6-bicyclo[3.1.0]hexanyl)-6-methylheptan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-23-dihydroxy-2-methyl-6-bicyclo310hexanyl-6-methylheptan-2-one.jpg "2D Structure of 5-(2,3-Dihydroxy-2-methyl-6-bicyclo[3.1.0]hexanyl)-6-methylheptan-2-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.38% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.31% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.92% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.88% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.74% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.02% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.54% | 96.47% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.48% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.10% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.91% | 82.69% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.56% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.45% | 96.77% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.28% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.71% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.66% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.27% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.74% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.69% | 97.21% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.62% | 91.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.77% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.25% | 96.95% |
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.
| Pallenis spinosa |
| PubChem | 14733718 |
| LOTUS | LTS0129586 |
| wikiData | Q105213014 |