(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(1,3-benzodioxol-5-yl)prop-2-enoate
| Internal ID | 7c2b7294-3ec4-449c-be6b-2093ed41d6b1 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(1,3-benzodioxol-5-yl)prop-2-enoate |
| SMILES (Canonical) | CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC4=C(C=C3)OCO4)C)C |
| SMILES (Isomeric) | CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC4=C(C=C3)OCO4)C)C |
| InChI | InChI=1S/C20H24O4/c1-19(2)14-8-9-20(19,3)17(11-14)24-18(21)7-5-13-4-6-15-16(10-13)23-12-22-15/h4-7,10,14,17H,8-9,11-12H2,1-3H3 |
| InChI Key | PYUDOIXLMHGZJD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(1,3-benzodioxol-5-yl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/177-trimethyl-2-bicyclo221heptanyl-3-13-benzodioxol-5-ylprop-2-enoate.jpg "2D Structure of (1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 3-(1,3-benzodioxol-5-yl)prop-2-enoate")
| 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 | 98.54% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.45% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.30% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.22% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.73% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.19% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.45% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.30% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.00% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.76% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.60% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.39% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.77% | 85.30% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.80% | 80.96% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.15% | 95.89% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 82.07% | 92.51% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.51% | 97.14% |
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 methysticum |
| PubChem | 73111832 |
| LOTUS | LTS0083399 |
| wikiData | Q105216783 |