3-(1,3-Benzodioxol-5-yl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
| Internal ID | 73f3587c-acee-48cc-a56e-7f96e9d59253 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids > 7-O-methylisoflavones |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCO4)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCO4)OC)C |
| InChI | InChI=1S/C22H20O5/c1-13(2)4-6-15-18(24-3)9-7-16-21(23)17(11-25-22(15)16)14-5-8-19-20(10-14)27-12-26-19/h4-5,7-11H,6,12H2,1-3H3 |
| InChI Key | NNBZEYJLJHOTAR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O5 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 4.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.13% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.92% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.73% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.87% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.55% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.22% | 85.14% |
| CHEMBL240 | Q12809 | HERG | 91.71% | 89.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.53% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.00% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.93% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.91% | 96.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.16% | 94.80% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 88.04% | 92.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.94% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.72% | 97.28% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.10% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.58% | 99.17% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.88% | 95.78% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.26% | 88.48% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.21% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.02% | 95.89% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.03% | 90.95% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.88% | 95.53% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.70% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.10% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.09% | 85.30% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.09% | 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.
| Millettia griffoniana |
| PubChem | 101385741 |
| LOTUS | LTS0069636 |
| wikiData | Q105182055 |