3-(7-Hydroxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one
| Internal ID | 58e2354f-109c-43f9-901d-a54769962e60 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 3-(7-hydroxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC(=C5C(=C4)OCO5)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC(=C5C(=C4)OCO5)O)C |
| InChI | InChI=1S/C21H16O6/c1-21(2)6-5-12-16(27-21)4-3-13-18(23)14(9-24-19(12)13)11-7-15(22)20-17(8-11)25-10-26-20/h3-9,22H,10H2,1-2H3 |
| InChI Key | VDBPHFIDFLHCRK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H16O6 |
| Molecular Weight | 364.30 g/mol |
| Exact Mass | 364.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 3-(7-Hydroxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-7-hydroxy-13-benzodioxol-5-yl-88-dimethylpyrano23-fchromen-4-one.jpg "2D Structure of 3-(7-Hydroxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]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 | 99.55% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.76% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.76% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.33% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.70% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.61% | 91.49% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.49% | 80.96% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.89% | 94.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.24% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.95% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.37% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.22% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.95% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.40% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.14% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.42% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.26% | 94.73% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.47% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.37% | 96.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.21% | 95.71% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.17% | 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 |
| Millettia usaramensis |
| PubChem | 101938912 |
| LOTUS | LTS0043490 |
| wikiData | Q105284073 |