2-Octadecanone, 18-(1,3-benzodioxol-5-yl)-
| Internal ID | f71aa017-1854-4c3e-846f-c1ed268703f7 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 18-(1,3-benzodioxol-5-yl)octadecan-2-one |
| SMILES (Canonical) | CC(=O)CCCCCCCCCCCCCCCCC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC(=O)CCCCCCCCCCCCCCCCC1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C25H40O3/c1-22(26)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23-18-19-24-25(20-23)28-21-27-24/h18-20H,2-17,21H2,1H3 |
| InChI Key | SVTYLQARFHCNGC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O3 |
| Molecular Weight | 388.60 g/mol |
| Exact Mass | 388.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 9.20 |
| 828263-12-3 |
| DTXSID50463202 |
| 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 | 97.60% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.51% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 97.45% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.60% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.28% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.16% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.19% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.02% | 94.73% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.06% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.98% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.95% | 90.24% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.31% | 96.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.71% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.57% | 95.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.28% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.24% | 92.62% |
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 | 11349758 |
| LOTUS | LTS0071851 |
| wikiData | Q82288036 |