(E)-16-(1,3-benzodioxol-5-yl)hexadec-3-en-2-one
| Internal ID | a88bbf93-05c3-4049-822f-557545d8f891 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (E)-16-(1,3-benzodioxol-5-yl)hexadec-3-en-2-one |
| SMILES (Canonical) | CC(=O)C=CCCCCCCCCCCCCC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC(=O)/C=C/CCCCCCCCCCCCC1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C23H34O3/c1-20(24)14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-16-17-22-23(18-21)26-19-25-22/h12,14,16-18H,2-11,13,15,19H2,1H3/b14-12+ |
| InChI Key | GLEWZPUZTYZURE-WYMLVPIESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O3 |
| Molecular Weight | 358.50 g/mol |
| Exact Mass | 358.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 8.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.49% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.94% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.78% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.72% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.71% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.64% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.44% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.29% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.15% | 86.33% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.32% | 92.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.81% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.30% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.20% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.63% | 92.62% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.63% | 96.25% |
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 | 11371787 |
| LOTUS | LTS0262856 |
| wikiData | Q104074229 |