[1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-(5-methoxy-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl)propyl] acetate
| Internal ID | 2af3fb67-2a81-473d-aa8d-5470b27c2589 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [1-(7-methoxy-1,3-benzodioxol-5-yl)-2-(5-methoxy-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl)propyl] acetate |
| SMILES (Canonical) | CC(C(C1=CC2=C(C(=C1)OC)OCO2)OC(=O)C)C3(CC(C=CC3=O)OC)CC=C |
| SMILES (Isomeric) | CC(C(C1=CC2=C(C(=C1)OC)OCO2)OC(=O)C)C3(CC(C=CC3=O)OC)CC=C |
| InChI | InChI=1S/C23H28O7/c1-6-9-23(12-17(26-4)7-8-20(23)25)14(2)21(30-15(3)24)16-10-18(27-5)22-19(11-16)28-13-29-22/h6-8,10-11,14,17,21H,1,9,12-13H2,2-5H3 |
| InChI Key | RUBUGEIVVQMIEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O7 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 80.30 Ų |
| XlogP | 3.30 |
| Megaphyllone acetate |
| [1-(7-methoxy-1,3-benzodioxol-5-yl)-2-(5-methoxy-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl)propyl] acetate |
| DTXSID20314777 |
| NSC288410 |
| NSC-288410 |
| MEGAPHYLLONE ACETATE B811608K136 |
![2D Structure of [1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-(5-methoxy-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl)propyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6255f440-8671-11ee-aa16-4d7749f7350d.jpg "2D Structure of [1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-(5-methoxy-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl)propyl] 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 | 99.10% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.70% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.42% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.91% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.70% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.43% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.09% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.68% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.56% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.30% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.95% | 97.25% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.77% | 89.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.07% | 95.89% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.85% | 80.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.68% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.14% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.52% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.75% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.55% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.10% | 97.14% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.72% | 92.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.67% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.00% | 90.00% |
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.
| Endlicheria dysodantha |
| PubChem | 324152 |
| LOTUS | LTS0261758 |
| wikiData | Q82067109 |