Isokanugin
| Internal ID | 0bcce28a-c229-499e-9b8a-5f54e7613551 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-3,5,7-trimethoxychromen-4-one |
| SMILES (Canonical) | COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC |
| SMILES (Isomeric) | COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC |
| InChI | InChI=1S/C19H16O7/c1-21-11-7-14(22-2)16-15(8-11)26-18(19(23-3)17(16)20)10-4-5-12-13(6-10)25-9-24-12/h4-8H,9H2,1-3H3 |
| InChI Key | GDROEPRRAVOAOE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H16O7 |
| Molecular Weight | 356.30 g/mol |
| Exact Mass | 356.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 3.10 |
| NSC678100 |
| 3,5,7-Trimethoxy-3',4'-methylenedioxyflavone |
| CHEMBL1977496 |
| 2-(1,3-benzodioxol-5-yl)-3,5,7-trimethoxychromen-4-one |
| CHEBI:184142 |
| LMPK12112733 |
| NSC-678100 |
| NCI60_027971 |
| 3,7-Trimethoxy-3',4'-methylenedioxyflavone |
| 2-(1,3-benzodioxol-5-yl)-3,5,7-trimethoxy-chromen-4-one |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.47% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.73% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.65% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.84% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.83% | 94.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 95.80% | 80.96% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.62% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.33% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.21% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.42% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.37% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.35% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.81% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.03% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.68% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.40% | 97.14% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.26% | 95.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.06% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.09% | 93.31% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.05% | 99.15% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.00% | 82.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.02% | 98.75% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.76% | 85.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.41% | 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.
| Melicope simplex |
| Melicope subunifoliolata |
| Melicope triphylla |
| PubChem | 386324 |
| LOTUS | LTS0065128 |
| wikiData | Q104397596 |