(8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide
| Internal ID | 9e0cc6fd-47e8-4734-af35-cb16e695c377 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)non-8-enamide |
| SMILES (Canonical) | CC(C)CNC(=O)CCCCCCC=CC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC(C)CNC(=O)CCCCCC/C=C/C1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C20H29NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7,9,11-13,16H,3-6,8,10,14-15H2,1-2H3,(H,21,22)/b9-7+ |
| InChI Key | RIIYLNBWAREERF-VQHVLOKHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H29NO3 |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.21474379 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 5.20 |
| (8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide |
| CHEMBL3338738 |
| Q27138442 |
| (E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)non-8-enamide |
| 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 | 99.20% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.39% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.64% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.83% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.69% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.27% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.29% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.53% | 96.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 92.00% | 80.96% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.03% | 96.77% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.63% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.39% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.69% | 89.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.41% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.26% | 95.56% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 88.52% | 89.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.68% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.28% | 90.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.71% | 95.17% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 83.32% | 96.67% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.98% | 85.30% |
| CHEMBL240 | Q12809 | HERG | 82.93% | 89.76% |
| CHEMBL4179 | P45984 | c-Jun N-terminal kinase 2 | 81.95% | 90.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.58% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.53% | 95.89% |
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 nigrum |
| PubChem | 16122394 |
| LOTUS | LTS0256845 |
| wikiData | Q27138442 |