2-[2-(3,7-Dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-5,7-dihydroxy-3-methoxychromen-4-one
| Internal ID | 2b078091-a195-4ca3-adb1-1a0e6082ce9f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 2-prenylated flavones |
| IUPAC Name | 2-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-5,7-dihydroxy-3-methoxychromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)C)C |
| InChI | InChI=1S/C26H28O7/c1-14(2)6-5-7-15(3)8-9-17-18(10-11-19(28)23(17)30)25-26(32-4)24(31)22-20(29)12-16(27)13-21(22)33-25/h6,8,10-13,27-30H,5,7,9H2,1-4H3 |
| InChI Key | AGJPGVFVAYNHMZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O7 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 2-[2-(3,7-Dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-5,7-dihydroxy-3-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-37-dimethylocta-26-dienyl-34-dihydroxyphenyl-57-dihydroxy-3-methoxychromen-4-one.jpg "2D Structure of 2-[2-(3,7-Dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-5,7-dihydroxy-3-methoxychromen-4-one")
| 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 | 99.74% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.06% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.56% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.57% | 94.73% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.01% | 96.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.93% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.37% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.20% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 89.11% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.07% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.93% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.90% | 94.45% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 87.91% | 98.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.20% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.95% | 90.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.24% | 92.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.12% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.12% | 96.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.59% | 94.42% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.54% | 93.10% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.31% | 89.34% |
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.
| Morus notabilis |
| PubChem | 76024747 |
| LOTUS | LTS0081604 |
| wikiData | Q104911818 |