[1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl] 3,4,5-trimethoxybenzoate
| Internal ID | caf58abe-9ed8-4bc9-9407-8f21e96f40cb |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives |
| IUPAC Name | [1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl] 3,4,5-trimethoxybenzoate |
| SMILES (Canonical) | CC(C(C1=CC2=C(C(=C1)OC)OCO2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C |
| SMILES (Isomeric) | CC(C(C1=CC2=C(C(=C1)OC)OCO2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C |
| InChI | InChI=1S/C23H26O9/c1-12(13(2)24)20(14-7-18(28-5)22-19(8-14)30-11-31-22)32-23(25)15-9-16(26-3)21(29-6)17(10-15)27-4/h7-10,12,20H,11H2,1-6H3 |
| InChI Key | YCTJYKCWSVOSFW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O9 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 98.80 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl] 3,4,5-trimethoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/1-7-methoxy-13-benzodioxol-5-yl-2-methyl-3-oxobutyl-345-trimethoxybenzoate.jpg "2D Structure of [1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl] 3,4,5-trimethoxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.77% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.14% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.32% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.00% | 94.80% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.61% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.41% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.13% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.48% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.18% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.10% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.62% | 94.45% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 84.26% | 95.39% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.73% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.33% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.91% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.08% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.35% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.26% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.11% | 95.56% |
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.
| Beilschmiedia tsangii |
| Blumea lacera |
| PubChem | 73129348 |
| LOTUS | LTS0216779 |
| wikiData | Q105016613 |