[(1R,2S)-2-[(1R,5R)-5-methoxy-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-1-(3,4,5-trimethoxyphenyl)propyl] acetate
| Internal ID | f3d5b7d0-0d9e-426b-8e8f-15adba3b64b5 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzyloxycarbonyls |
| IUPAC Name | [(1R,2S)-2-[(1R,5R)-5-methoxy-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-1-(3,4,5-trimethoxyphenyl)propyl] acetate |
| SMILES (Canonical) | CC(C(C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C)C2(CC(C=CC2=O)OC)CC=C |
| SMILES (Isomeric) | C[C@H]([C@H](C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C)[C@]2(C[C@H](C=CC2=O)OC)CC=C |
| InChI | InChI=1S/C24H32O7/c1-8-11-24(14-18(27-4)9-10-21(24)26)15(2)22(31-16(3)25)17-12-19(28-5)23(30-7)20(13-17)29-6/h8-10,12-13,15,18,22H,1,11,14H2,2-7H3/t15-,18+,22-,24-/m1/s1 |
| InChI Key | ACAKNZGFODMHDA-GYJSXLPRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H32O7 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 80.30 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [(1R,2S)-2-[(1R,5R)-5-methoxy-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-1-(3,4,5-trimethoxyphenyl)propyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2c3b7540-85ff-11ee-9cfd-230e7222ca5d.jpg "2D Structure of [(1R,2S)-2-[(1R,5R)-5-methoxy-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-1-(3,4,5-trimethoxyphenyl)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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.57% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.30% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.84% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.28% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.89% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.09% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.72% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.45% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.11% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.78% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.45% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.74% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.62% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.56% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.83% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.68% | 89.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.12% | 96.00% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 82.30% | 92.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.03% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.37% | 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.
| Endlicheria dysodantha |
| PubChem | 21140766 |
| LOTUS | LTS0089911 |
| wikiData | Q104908982 |