Isorhynchospermin
| Internal ID | e6509fa0-83bf-4276-80a1-de68a2064526 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 6-prenylated flavones |
| IUPAC Name | 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)O)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)O)O)OC)C |
| InChI | InChI=1S/C22H22O7/c1-11(2)5-7-13-16(28-4)10-17-18(19(13)24)20(25)21(26)22(29-17)12-6-8-15(27-3)14(23)9-12/h5-6,8-10,23-24,26H,7H2,1-4H3 |
| InChI Key | VADQDPHFUHJWBE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O7 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.70 |
| CHEBI:178231 |
| LMPK12112651 |
| 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.52% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.12% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.70% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.03% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.97% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.42% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.31% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.55% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.00% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.72% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.55% | 94.75% |
| CHEMBL3194 | P02766 | Transthyretin | 87.55% | 90.71% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 87.01% | 98.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.42% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.07% | 96.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.90% | 96.12% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.73% | 86.92% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.62% | 85.30% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.40% | 90.20% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.91% | 83.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.71% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.57% | 90.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.08% | 95.64% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.39% | 95.50% |
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.
| Paracalyx scariosus |
| PubChem | 44259626 |
| LOTUS | LTS0052691 |
| wikiData | Q105282652 |