[2-(3-Hydroxy-3-methylbut-1-enyl)-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3-acetyloxybutanoate
| Internal ID | 1ca867c9-c6f8-4ff0-9bba-52df4127abc6 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
| IUPAC Name | [2-(3-hydroxy-3-methylbut-1-enyl)-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3-acetyloxybutanoate |
| SMILES (Canonical) | CC(CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC)C=CC(C)(C)O)OC(=O)C |
| SMILES (Isomeric) | CC(CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC)C=CC(C)(C)O)OC(=O)C |
| InChI | InChI=1S/C21H26O7/c1-14(27-15(2)22)12-20(24)28-18-8-6-16(7-9-19(23)26-5)13-17(18)10-11-21(3,4)25/h6-11,13-14,25H,12H2,1-5H3 |
| InChI Key | JOCMICFBSDGOAQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O7 |
| Molecular Weight | 390.40 g/mol |
| Exact Mass | 390.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [2-(3-Hydroxy-3-methylbut-1-enyl)-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3-acetyloxybutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-hydroxy-3-methylbut-1-enyl-4-3-methoxy-3-oxoprop-1-enylphenyl-3-acetyloxybutanoate.jpg "2D Structure of [2-(3-Hydroxy-3-methylbut-1-enyl)-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3-acetyloxybutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.22% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.33% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.58% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.55% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.81% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.71% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.63% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.96% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.68% | 85.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.64% | 89.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.33% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.90% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.55% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.51% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.30% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.91% | 95.89% |
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.
| Ozothamnus diosmifolius |
| PubChem | 163043455 |
| LOTUS | LTS0052548 |
| wikiData | Q105132251 |