[2-[4-[2-(2,6-Dimethoxy-4-prop-1-enylphenoxy)propyl]-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl] acetate
| Internal ID | 1b4ea938-bbbd-4257-be4a-d43c62cb7496 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | [2-[4-[2-(2,6-dimethoxy-4-prop-1-enylphenoxy)propyl]-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl] acetate |
| SMILES (Canonical) | CC=CC1=CC(=C(C(=C1)OC)OC(C)CC2=CC(=C(C(=C2)OC)OC(C)C(C3=CC(=C(C(=C3)OC)OC)OC)OC(=O)C)OC)OC |
| SMILES (Isomeric) | CC=CC1=CC(=C(C(=C1)OC)OC(C)CC2=CC(=C(C(=C2)OC)OC(C)C(C3=CC(=C(C(=C3)OC)OC)OC)OC(=O)C)OC)OC |
| InChI | InChI=1S/C36H46O11/c1-12-13-24-15-27(38-5)35(28(16-24)39-6)45-21(2)14-25-17-29(40-7)36(30(18-25)41-8)46-22(3)33(47-23(4)37)26-19-31(42-9)34(44-11)32(20-26)43-10/h12-13,15-22,33H,14H2,1-11H3 |
| InChI Key | UAPDIOXNFGCASE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H46O11 |
| Molecular Weight | 654.70 g/mol |
| Exact Mass | 654.30401228 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of [2-[4-[2-(2,6-Dimethoxy-4-prop-1-enylphenoxy)propyl]-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c99dfc70-857f-11ee-9961-a9c8f761f57a.jpg "2D Structure of [2-[4-[2-(2,6-Dimethoxy-4-prop-1-enylphenoxy)propyl]-2,6-dimethoxyphenoxy]-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 | 98.52% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.74% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.38% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.05% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.87% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.80% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.43% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.96% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.67% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.51% | 90.20% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.15% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.82% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.33% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.30% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.44% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.13% | 93.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.75% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.61% | 89.62% |
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.
| Bonamia spectabilis |
| PubChem | 162890930 |
| LOTUS | LTS0132236 |
| wikiData | Q105141752 |