2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(2S)-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
| Internal ID | e20678e4-fd31-4e08-a916-f3f0506390aa |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(2S)-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=C(C=C1O)C2CC3=C(O2)C=C(C=C3)O)O)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C(C=C(C=C1O)[C@@H]2CC3=C(O2)C=C(C=C3)O)O)/C)C |
| InChI | InChI=1S/C24H28O4/c1-15(2)5-4-6-16(3)7-10-20-21(26)11-18(12-22(20)27)23-13-17-8-9-19(25)14-24(17)28-23/h5,7-9,11-12,14,23,25-27H,4,6,10,13H2,1-3H3/b16-7+/t23-/m0/s1 |
| InChI Key | NZZREFWQKGVNJR-YLLUOSTHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O4 |
| Molecular Weight | 380.50 g/mol |
| Exact Mass | 380.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(2S)-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/29c16de0-8637-11ee-95a2-adf33ec25759.jpg "2D Structure of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(2S)-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.95% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.24% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.72% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.02% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.68% | 94.73% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.46% | 91.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.30% | 99.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.12% | 99.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.99% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.33% | 97.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.21% | 93.10% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.07% | 92.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.72% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.69% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.51% | 86.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.31% | 85.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.80% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.75% | 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.
| Milicia excelsa |
| PubChem | 163194307 |
| LOTUS | LTS0162881 |
| wikiData | Q105188546 |