3-[7-Acetyloxy-2-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propyl acetate
| Internal ID | 2681bd06-55f6-4a46-930c-db142e43c477 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 3-[7-acetyloxy-2-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propyl acetate |
| SMILES (Canonical) | CC(=O)OCCCC1=CC2=C(C(=C1)OC(=O)C)OC(C2COC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC |
| SMILES (Isomeric) | CC(=O)OCCCC1=CC2=C(C(=C1)OC(=O)C)OC(C2COC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC |
| InChI | InChI=1S/C27H30O10/c1-15(28)33-10-6-7-19-11-21-22(14-34-16(2)29)26(37-27(21)25(12-19)36-18(4)31)20-8-9-23(35-17(3)30)24(13-20)32-5/h8-9,11-13,22,26H,6-7,10,14H2,1-5H3 |
| InChI Key | NBKXMCXVNUKNJF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O10 |
| Molecular Weight | 514.50 g/mol |
| Exact Mass | 514.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 3-[7-Acetyloxy-2-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4ae7b090-844f-11ee-ac48-ad0fc4150233.jpg "2D Structure of 3-[7-Acetyloxy-2-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-2,3-dihydro-1-benzofuran-5-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.11% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.50% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.66% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.12% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.49% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.27% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.85% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.61% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.34% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.48% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.66% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.84% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.81% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.87% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.51% | 96.00% |
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.
| Chamaecyparis formosensis |
| Cryptomeria japonica |
| PubChem | 73830464 |
| LOTUS | LTS0239547 |
| wikiData | Q104403586 |