(3S)-2,2,3-trimethyl-3-[(1S,5R)-4-methylidene-1-bicyclo[3.1.0]hexanyl]cyclopentan-1-one
| Internal ID | 988d7a4c-5310-4772-9215-9a775b82c474 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones |
| IUPAC Name | (3S)-2,2,3-trimethyl-3-[(1S,5R)-4-methylidene-1-bicyclo[3.1.0]hexanyl]cyclopentan-1-one |
| SMILES (Canonical) | CC1(C(=O)CCC1(C)C23CCC(=C)C2C3)C |
| SMILES (Isomeric) | C[C@]1(CCC(=O)C1(C)C)[C@]23CCC(=C)[C@H]2C3 |
| InChI | InChI=1S/C15H22O/c1-10-5-8-15(9-11(10)15)14(4)7-6-12(16)13(14,2)3/h11H,1,5-9H2,2-4H3/t11-,14-,15+/m1/s1 |
| InChI Key | BSSOGAHRTAIVJR-DFBGVHRSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O |
| Molecular Weight | 218.33 g/mol |
| Exact Mass | 218.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (3S)-2,2,3-trimethyl-3-[(1S,5R)-4-methylidene-1-bicyclo[3.1.0]hexanyl]cyclopentan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-223-trimethyl-3-1s5r-4-methylidene-1-bicyclo310hexanylcyclopentan-1-one.jpg "2D Structure of (3S)-2,2,3-trimethyl-3-[(1S,5R)-4-methylidene-1-bicyclo[3.1.0]hexanyl]cyclopentan-1-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.15% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.84% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.06% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.89% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.57% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.66% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.02% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.33% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.44% | 96.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.94% | 95.38% |
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.
| Mannia fragrans |
| PubChem | 15475431 |
| LOTUS | LTS0275224 |
| wikiData | Q104945407 |