1-(1,3-Benzodioxol-5-yl)-3-methoxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
| Internal ID | 4d2c5d3f-2110-47a3-94dc-8e4c0d7c0c13 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retrochalcones |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)-3-methoxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC(=C2OC)C(=CC(=O)C3=CC4=C(C=C3)OCO4)OC)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC(=C2OC)C(=CC(=O)C3=CC4=C(C=C3)OCO4)OC)C |
| InChI | InChI=1S/C23H22O6/c1-23(2)10-9-16-18(29-23)8-6-15(22(16)26-4)20(25-3)12-17(24)14-5-7-19-21(11-14)28-13-27-19/h5-12H,13H2,1-4H3 |
| InChI Key | RIWDDIWRBNUCBN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O6 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.73% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.58% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.10% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.52% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.54% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.48% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 91.89% | 80.96% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 91.40% | 87.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.84% | 98.75% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.00% | 81.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.55% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.52% | 94.73% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.22% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.47% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.37% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.24% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.02% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.88% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.67% | 89.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.42% | 95.50% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.35% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.76% | 89.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.03% | 90.24% |
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.
| Lonchocarpus subglaucescens |
| PubChem | 162952941 |
| LOTUS | LTS0271283 |
| wikiData | Q105237213 |