6-Prop-2-enyl-7a-[1-(3,4,5-trimethoxyphenyl)propan-2-yl]-6,7-dihydro-1,3-benzodioxol-5-one
| Internal ID | b8a82465-70a8-4092-ab38-4bfd8e9f0b8e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 6-prop-2-enyl-7a-[1-(3,4,5-trimethoxyphenyl)propan-2-yl]-6,7-dihydro-1,3-benzodioxol-5-one |
| SMILES (Canonical) | CC(CC1=CC(=C(C(=C1)OC)OC)OC)C23CC(C(=O)C=C2OCO3)CC=C |
| SMILES (Isomeric) | CC(CC1=CC(=C(C(=C1)OC)OC)OC)C23CC(C(=O)C=C2OCO3)CC=C |
| InChI | InChI=1S/C22H28O6/c1-6-7-16-12-22(20(11-17(16)23)27-13-28-22)14(2)8-15-9-18(24-3)21(26-5)19(10-15)25-4/h6,9-11,14,16H,1,7-8,12-13H2,2-5H3 |
| InChI Key | FBYNYXZXGPLZEG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 6-Prop-2-enyl-7a-[1-(3,4,5-trimethoxyphenyl)propan-2-yl]-6,7-dihydro-1,3-benzodioxol-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-prop-2-enyl-7a-1-345-trimethoxyphenylpropan-2-yl-67-dihydro-13-benzodioxol-5-one.jpg "2D Structure of 6-Prop-2-enyl-7a-[1-(3,4,5-trimethoxyphenyl)propan-2-yl]-6,7-dihydro-1,3-benzodioxol-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.39% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.83% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.78% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.66% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.96% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.26% | 96.77% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.26% | 89.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.96% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.68% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.27% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.07% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.42% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.33% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.07% | 89.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.61% | 90.20% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.44% | 99.18% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.89% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.90% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.61% | 96.00% |
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.
| Ocotea bullata |
| PubChem | 162846862 |
| LOTUS | LTS0195053 |
| wikiData | Q104993012 |