3-(1,3-Benzodioxol-5-yl)-6-methoxy-8,8-bis(3-methylbut-2-enyl)chromene-4,7-dione
| Internal ID | 16f680ab-6a75-4b7d-bed0-a7ced67f96cf |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-6-methoxy-8,8-bis(3-methylbut-2-enyl)chromene-4,7-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H28O6/c1-16(2)8-10-27(11-9-17(3)4)25(29)23(30-5)13-19-24(28)20(14-31-26(19)27)18-6-7-21-22(12-18)33-15-32-21/h6-9,12-14H,10-11,15H2,1-5H3 |
| InChI Key | JKFYHNPGNCGTJT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H28O6 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 5.50 |
| 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 | 99.48% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.16% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.11% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.98% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.75% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.84% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.97% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.35% | 94.80% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.84% | 80.96% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.52% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.70% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.51% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.77% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.42% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.33% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.76% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.67% | 94.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.27% | 85.30% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.85% | 90.00% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 83.60% | 93.24% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.07% | 97.28% |
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 | 12972369 |
| LOTUS | LTS0027195 |
| wikiData | Q104399008 |