7-(6,7-Dihydroxy-3,7-dimethyloct-2-enoxy)-3-(4-methoxyphenyl)chromen-4-one
| Internal ID | a9d9d1b5-33e5-4505-920c-d12c13128ee6 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones |
| IUPAC Name | 7-(6,7-dihydroxy-3,7-dimethyloct-2-enoxy)-3-(4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC)CCC(C(C)(C)O)O |
| InChI | InChI=1S/C26H30O6/c1-17(5-12-24(27)26(2,3)29)13-14-31-20-10-11-21-23(15-20)32-16-22(25(21)28)18-6-8-19(30-4)9-7-18/h6-11,13,15-16,24,27,29H,5,12,14H2,1-4H3 |
| InChI Key | AQMCMECFWIVQQR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O6 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
| 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 | 98.93% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.42% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 97.41% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.97% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.20% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.90% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.42% | 89.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.13% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.93% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.01% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.98% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.30% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.76% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.39% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.85% | 86.92% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.02% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.77% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.95% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.68% | 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.
| Isodon japonicus |
| Isodon trichocarpus |
| Lithospermum erythrorhizon |
| Millettia griffoniana |
| PubChem | 162994344 |
| LOTUS | LTS0075692 |
| wikiData | Q105288187 |