3-(1,3-Benzodioxol-5-yl)-6-hydroxy-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
| Internal ID | e2aa0e97-7dab-42eb-b1ee-b2a99117463f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-6-hydroxy-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C3C(=C(C(=C2O1)O)OC)C(=O)C(=CO3)C4=CC5=C(C=C4)OCO5)C |
| SMILES (Isomeric) | CC1(C=CC2=C3C(=C(C(=C2O1)O)OC)C(=O)C(=CO3)C4=CC5=C(C=C4)OCO5)C |
| InChI | InChI=1S/C22H18O7/c1-22(2)7-6-12-19-16(21(25-3)18(24)20(12)29-22)17(23)13(9-26-19)11-4-5-14-15(8-11)28-10-27-14/h4-9,24H,10H2,1-3H3 |
| InChI Key | WWDGFJYGAQKSRX-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H18O7 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 3-(1,3-Benzodioxol-5-yl)-6-hydroxy-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-13-benzodioxol-5-yl-6-hydroxy-5-methoxy-88-dimethylpyrano23-hchromen-4-one.jpg "2D Structure of 3-(1,3-Benzodioxol-5-yl)-6-hydroxy-5-methoxy-8,8-dimethylpyrano[2,3-h]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 | 99.57% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.91% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.69% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.63% | 98.95% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 95.71% | 80.96% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.13% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.93% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.93% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.00% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.42% | 99.15% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.89% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.69% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.44% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.25% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.55% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.27% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.24% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.18% | 95.78% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.14% | 95.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.65% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.51% | 95.89% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.82% | 82.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.01% | 99.23% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.63% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.75% | 85.30% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.64% | 98.75% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.64% | 85.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.26% | 96.67% |
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 | 12972368 |
| LOTUS | LTS0029903 |
| wikiData | Q105313937 |