2-(1,3-Benzodioxol-5-yl)-5-methoxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
| Internal ID | 7e9bbaad-5725-4b9b-b285-84539fa03181 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-5-methoxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)CC(O3)C4=CC5=C(C=C4)OCO5)C |
| SMILES (Isomeric) | CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)CC(O3)C4=CC5=C(C=C4)OCO5)C |
| InChI | InChI=1S/C22H20O6/c1-22(2)7-6-13-17(28-22)10-19(24-3)20-14(23)9-16(27-21(13)20)12-4-5-15-18(8-12)26-11-25-15/h4-8,10,16H,9,11H2,1-3H3 |
| InChI Key | VKZPFWQDJJZRFN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O6 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 2-(1,3-Benzodioxol-5-yl)-5-methoxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-13-benzodioxol-5-yl-5-methoxy-88-dimethyl-23-dihydropyrano23-hchromen-4-one.jpg "2D Structure of 2-(1,3-Benzodioxol-5-yl)-5-methoxy-8,8-dimethyl-2,3-dihydropyrano[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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.80% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.75% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.49% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.16% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.86% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.85% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.58% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 92.33% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.01% | 95.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.94% | 80.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.80% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.99% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.91% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.73% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.03% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.05% | 90.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.75% | 82.67% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.49% | 95.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.18% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.44% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.35% | 94.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.13% | 96.86% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.03% | 100.00% |
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.
| Pongamia pinnata |
| PubChem | 15719484 |
| LOTUS | LTS0214029 |
| wikiData | Q105288226 |