(5E)-2-methyl-5-((1'R*,5'R*)-2-methylidene-7-oxobicyclo(3.2.1)oct-6-ylidene)-4-oxopentanoic acid
| Internal ID | 27f83c29-0831-48b9-aef2-1c7b5a825758 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (5E)-2-methyl-5-[(1R,5R)-2-methylidene-7-oxo-6-bicyclo[3.2.1]octanylidene]-4-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H18O4/c1-8-3-4-10-6-12(8)14(17)13(10)7-11(16)5-9(2)15(18)19/h7,9-10,12H,1,3-6H2,2H3,(H,18,19)/b13-7+/t9?,10-,12-/m1/s1 |
| InChI Key | OFNHMEXSPYYSRR-MJACVCCFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.30 g/mol |
| Exact Mass | 262.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 1.10 |
| (5E)-2-methyl-5-[(1R,5R)-2-methylidene-7-oxo-6-bicyclo[3.2.1]octanylidene]-4-oxopentanoic acid |
| (5E)-2-methyl-5-((1'R*,5'R*)-2-methylidene-7-oxobicyclo(3.2.1)oct-6-ylidene)-4-oxopentanoic acid |
| (5E)-2-methyl-5-((1R,5R)-2-methylidene-7-oxo-6-bicyclo(3.2.1)octanylidene)-4-oxopentanoic acid |
| RefChem:69615 |
| CHEBI:227533 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 92.95% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.78% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.89% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.74% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.82% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.63% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.03% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.52% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.00% | 90.71% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 82.80% | 95.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.39% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.53% | 93.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139586750 |
| LOTUS | LTS0213936 |
| wikiData | Q77513587 |