5-Hydroxy-3,7-dimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
| Internal ID | f5480588-c577-4c0a-bca6-32db26f4891c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | 5-hydroxy-3,7-dimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]chromen-4-one |
| SMILES (Canonical) | CC(=CCOC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC)C |
| SMILES (Isomeric) | CC(=CCOC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC)C |
| InChI | InChI=1S/C23H24O7/c1-13(2)8-9-29-17-7-6-14(10-18(17)27-4)22-23(28-5)21(25)20-16(24)11-15(26-3)12-19(20)30-22/h6-8,10-12,24H,9H2,1-5H3 |
| InChI Key | DVPKCPQNRAOTGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O7 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-3,7-dimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-37-dimethoxy-2-3-methoxy-4-3-methylbut-2-enoxyphenylchromen-4-one.jpg "2D Structure of 5-Hydroxy-3,7-dimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]chromen-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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.52% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.29% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.21% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.98% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.65% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.17% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.80% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.86% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.00% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.38% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.96% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.04% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.27% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.49% | 96.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.41% | 95.78% |
| CHEMBL3194 | P02766 | Transthyretin | 80.92% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.88% | 86.92% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.64% | 85.00% |
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.
| Spiranthes australis |
| PubChem | 25130460 |
| LOTUS | LTS0210827 |
| wikiData | Q104990276 |