(5R)-5-methyl-5-[(E,3R)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one
| Internal ID | 6c23b3e2-cb53-484e-bd20-24cd1a016cf8 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (5R)-5-methyl-5-[(E,3R)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one |
| SMILES (Canonical) | CC(C)C(CCC(=O)C)C=CC1(CCC(=O)O1)C |
| SMILES (Isomeric) | CC(C)[C@@H](CCC(=O)C)/C=C/[C@]1(CCC(=O)O1)C |
| InChI | InChI=1S/C15H24O3/c1-11(2)13(6-5-12(3)16)7-9-15(4)10-8-14(17)18-15/h7,9,11,13H,5-6,8,10H2,1-4H3/b9-7+/t13-,15-/m0/s1 |
| InChI Key | VNIPCLUJYQFEPB-VYPOOZAYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O3 |
| Molecular Weight | 252.35 g/mol |
| Exact Mass | 252.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (5R)-5-methyl-5-[(E,3R)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5r-5-methyl-5-e3r-6-oxo-3-propan-2-ylhept-1-enyloxolan-2-one.jpg "2D Structure of (5R)-5-methyl-5-[(E,3R)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.21% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.91% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.08% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.60% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.20% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.98% | 98.03% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.96% | 89.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.76% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.41% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.38% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.38% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.19% | 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.
To see more specific details click the taxa you are interested in.
| Nicotiana tabacum |
| PubChem | 162907183 |
| LOTUS | LTS0190070 |
| wikiData | Q105289647 |