2-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-4-methyl-2H-furan-5-one
| Internal ID | 5f883532-b535-456f-98d1-52b2cc1916e5 |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Dihydrobenzophenanthridine alkaloids |
| IUPAC Name | 2-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-4-methyl-2H-furan-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H23NO6/c1-13-9-21(33-26(13)28)24-22-15(7-8-18(29-3)25(22)30-4)16-6-5-14-10-19-20(32-12-31-19)11-17(14)23(16)27(24)2/h5-11,21,24H,12H2,1-4H3 |
| InChI Key | RXLNHGYZHDWPSP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H23NO6 |
| Molecular Weight | 445.50 g/mol |
| Exact Mass | 445.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 2-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-4-methyl-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-12-dimethoxy-12-methyl-13h-13benzodioxolo56-cphenanthridin-13-yl-4-methyl-2h-furan-5-one.jpg "2D Structure of 2-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-4-methyl-2H-furan-5-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 | 98.18% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.76% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.01% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.54% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 93.38% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.06% | 92.51% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.81% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.68% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.68% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.86% | 94.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.47% | 89.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.11% | 82.38% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 89.88% | 97.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.80% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.18% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.07% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.63% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.95% | 90.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 84.56% | 92.38% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.46% | 93.65% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.41% | 94.42% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.88% | 93.40% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.17% | 96.67% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.07% | 80.78% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.30% | 96.39% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.17% | 82.67% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.01% | 96.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.81% | 92.98% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.40% | 94.45% |
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.
| Macleaya microcarpa |
| PubChem | 75154209 |
| LOTUS | LTS0056526 |
| wikiData | Q105247122 |