[6-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
| Internal ID | e196b80a-7d47-4295-bb21-8eaaa83173c2 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | [6-(4-hydroxy-3-methoxyphenyl)-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate |
| SMILES (Canonical) | CC1C(C2C(C1(C=C(C2=O)OC)CC=C)OC(=O)C)C3=CC(=C(C=C3)O)OC |
| SMILES (Isomeric) | CC1C(C2C(C1(C=C(C2=O)OC)CC=C)OC(=O)C)C3=CC(=C(C=C3)O)OC |
| InChI | InChI=1S/C22H26O6/c1-6-9-22-11-17(27-5)20(25)19(21(22)28-13(3)23)18(12(22)2)14-7-8-15(24)16(10-14)26-4/h6-8,10-12,18-19,21,24H,1,9H2,2-5H3 |
| InChI Key | ZCLWBGXLYWCXHJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O6 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [6-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/97dfcea0-86d0-11ee-89ad-712e60caf830.jpg "2D Structure of [6-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate")
| 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 | 99.33% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.82% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.07% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.03% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.97% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.79% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.85% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.33% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.00% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.16% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.74% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.98% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.63% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.50% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.79% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.49% | 92.94% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.90% | 97.21% |
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 betle |
| PubChem | 85115188 |
| LOTUS | LTS0134802 |
| wikiData | Q105371256 |