Methyl 4-(6-oxo-[1,3]dioxolo[4,5-j]phenanthridin-5-yl)butanoate
| Internal ID | bacbdec5-201d-4afd-8a52-73bd326df48e |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids |
| IUPAC Name | methyl 4-(6-oxo-[1,3]dioxolo[4,5-j]phenanthridin-5-yl)butanoate |
| SMILES (Canonical) | COC(=O)CCCN1C2=CC=CC=C2C3=CC4=C(C=C3C1=O)OCO4 |
| SMILES (Isomeric) | COC(=O)CCCN1C2=CC=CC=C2C3=CC4=C(C=C3C1=O)OCO4 |
| InChI | InChI=1S/C19H17NO5/c1-23-18(21)7-4-8-20-15-6-3-2-5-12(15)13-9-16-17(25-11-24-16)10-14(13)19(20)22/h2-3,5-6,9-10H,4,7-8,11H2,1H3 |
| InChI Key | VGPJCNYMPYIQGO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H17NO5 |
| Molecular Weight | 339.30 g/mol |
| Exact Mass | 339.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of Methyl 4-(6-oxo-[1,3]dioxolo[4,5-j]phenanthridin-5-yl)butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-4-6-oxo-13dioxolo45-jphenanthridin-5-ylbutanoate.jpg "2D Structure of Methyl 4-(6-oxo-[1,3]dioxolo[4,5-j]phenanthridin-5-yl)butanoate")
| 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 | 97.80% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.71% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.73% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.13% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.08% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.91% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.68% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.40% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.94% | 99.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.79% | 98.59% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.16% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.88% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.35% | 96.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.54% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.31% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.07% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.01% | 94.00% |
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.
| Hippeastrum puniceum |
| PubChem | 154497200 |
| LOTUS | LTS0080276 |
| wikiData | Q104403706 |