3-(1,3-Benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-hydroxyprop-2-en-1-one
| Internal ID | f2b3301c-a65b-44de-a37a-8bf6ddfcda70 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-hydroxyprop-2-en-1-one |
| SMILES (Canonical) | CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)C=C(C3=CC4=C(C=C3)OCO4)O)OC)C |
| SMILES (Isomeric) | CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)C=C(C3=CC4=C(C=C3)OCO4)O)OC)C |
| InChI | InChI=1S/C23H22O7/c1-23(2)8-7-14-18(30-23)11-20(26-3)21(22(14)27-4)16(25)10-15(24)13-5-6-17-19(9-13)29-12-28-17/h5-11,24H,12H2,1-4H3 |
| InChI Key | CHMQLCYFVBURMW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O7 |
| Molecular Weight | 410.40 g/mol |
| Exact Mass | 410.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 4.40 |
| 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 | 98.13% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.67% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.09% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.07% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.67% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.77% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.54% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.44% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.03% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.39% | 89.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.01% | 90.20% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.28% | 91.19% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.81% | 80.96% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.09% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.39% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.26% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.06% | 89.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.52% | 94.80% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.03% | 95.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.35% | 93.99% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.50% | 90.24% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.28% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.87% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.72% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.56% | 98.75% |
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.
| Pongamia pinnata |
| PubChem | 127023 |
| LOTUS | LTS0132499 |
| wikiData | Q104959040 |