16-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hexadeca-2,4,15-trienamide
| Internal ID | a5420a39-264a-4483-926b-1fc785196632 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 16-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hexadeca-2,4,15-trienamide |
| SMILES (Canonical) | CC(C)CNC(=O)C=CC=CCCCCCCCCCC=CC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC(C)CNC(=O)C=CC=CCCCCCCCCCC=CC1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C27H39NO3/c1-23(2)21-28-27(29)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-18-19-25-26(20-24)31-22-30-25/h11,13-20,23H,3-10,12,21-22H2,1-2H3,(H,28,29) |
| InChI Key | KXZKYCRWMZGOMF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H39NO3 |
| Molecular Weight | 425.60 g/mol |
| Exact Mass | 425.29299411 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 8.40 |
| 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 | 99.14% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.07% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.92% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.10% | 94.80% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.83% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.05% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.16% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.06% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.89% | 95.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.66% | 80.96% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.79% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.30% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.12% | 85.30% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.36% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.38% | 90.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 82.75% | 89.33% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.93% | 92.95% |
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 retrofractum |
| PubChem | 78384608 |
| LOTUS | LTS0205256 |
| wikiData | Q105147610 |