(E)-14-(1,3-benzodioxol-5-yl)tetradec-13-en-2-one
| Internal ID | 23e8831e-6840-43c5-a3ae-6af3ac583912 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (E)-14-(1,3-benzodioxol-5-yl)tetradec-13-en-2-one |
| SMILES (Canonical) | CC(=O)CCCCCCCCCCC=CC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC(=O)CCCCCCCCCC/C=C/C1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C21H30O3/c1-18(22)12-10-8-6-4-2-3-5-7-9-11-13-19-14-15-20-21(16-19)24-17-23-20/h11,13-16H,2-10,12,17H2,1H3/b13-11+ |
| InChI Key | XSCQBXUNBGFDEK-ACCUITESSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O3 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
| 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 | 99.15% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.10% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.10% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.93% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.53% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.73% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.96% | 86.33% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.88% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.11% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.24% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.03% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.49% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.86% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.50% | 100.00% |
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.
| Piper sanctum |
| PubChem | 11324984 |
| LOTUS | LTS0095563 |
| wikiData | Q104074194 |