3-Acetyl-13-deoxyphomenone
| Internal ID | 4e683a14-4d15-4814-9666-8ccbddbaec0c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1aR,6R,7R,7aR,7bR)-7,7a-dimethyl-2-oxo-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-6-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22O4/c1-9(2)17-14(19)8-12-6-7-13(20-11(4)18)10(3)16(12,5)15(17)21-17/h8,10,13,15H,1,6-7H2,2-5H3/t10-,13+,15+,16+,17-/m0/s1 |
| InChI Key | CAABNZJDJAYFFQ-CRJBSTRQSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C17H22O4 |
| Molecular Weight | 290.40 g/mol |
| Exact Mass | 290.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 55.90 Ų |
| XlogP | 2.60 |
| 194241-10-6 |
| 3-O-Acetyl-13-deoxyphomenone |
| CHEMBL3581340 |
| AKOS040735450 |
| NCGC00380955-01 |
| [(1aR,6R,7R,7aR,7bR)-7,7a-dimethyl-2-oxo-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-6-yl] acetate |
| 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 | 98.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.35% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.09% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.20% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.39% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.59% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.86% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.28% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.58% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.59% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.70% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.14% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.04% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.28% | 95.93% |
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 | 60208854 |
| LOTUS | LTS0076607 |
| wikiData | Q77568163 |