3-[2,5-Dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5,7-dimethoxychromen-4-one
| Internal ID | 63a0b9e4-a3bd-4e75-a064-56606b323db8 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids > 7-O-methylisoflavones |
| IUPAC Name | 3-[2,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5,7-dimethoxychromen-4-one |
| SMILES (Canonical) | CC(=CCOC1=C(C=C(C(=C1)OC)C2=COC3=C(C2=O)C(=CC(=C3)OC)OC)OC)C |
| SMILES (Isomeric) | CC(=CCOC1=C(C=C(C(=C1)OC)C2=COC3=C(C2=O)C(=CC(=C3)OC)OC)OC)C |
| InChI | InChI=1S/C24H26O7/c1-14(2)7-8-30-20-12-18(27-4)16(11-19(20)28-5)17-13-31-22-10-15(26-3)9-21(29-6)23(22)24(17)25/h7,9-13H,8H2,1-6H3 |
| InChI Key | OLKGXQNVTYDYLP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H26O7 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 3-[2,5-Dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5,7-dimethoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-25-dimethoxy-4-3-methylbut-2-enoxyphenyl-57-dimethoxychromen-4-one.jpg "2D Structure of 3-[2,5-Dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5,7-dimethoxychromen-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 | 97.07% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.36% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.02% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.44% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.21% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.61% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.88% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.76% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.88% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.60% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.68% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.44% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.28% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.35% | 92.62% |
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.
| Millettia brandisiana |
| PubChem | 25058575 |
| LOTUS | LTS0180782 |
| wikiData | Q105194004 |