5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-6(5H)-one
| Internal ID | 73386a79-6a9d-4094-9de7-7953afb49baa |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids |
| IUPAC Name | 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| SMILES (Canonical) | CN1C2=CC=CC=C2C3=CC4=C(C=C3C1=O)OCO4 |
| SMILES (Isomeric) | CN1C2=CC=CC=C2C3=CC4=C(C=C3C1=O)OCO4 |
| InChI | InChI=1S/C15H11NO3/c1-16-12-5-3-2-4-9(12)10-6-13-14(19-8-18-13)7-11(10)15(16)17/h2-7H,8H2,1H3 |
| InChI Key | CDCHSQZENQTMRA-UHFFFAOYSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C15H11NO3 |
| Molecular Weight | 253.25 g/mol |
| Exact Mass | 253.07389321 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 2.50 |
| N-Methylcrinasiadine |
| NSC270700 |
| CHEMBL2208201 |
| DTXSID50313495 |
| 5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-6(5H)-one |
| NSC-270700 |
![2D Structure of 5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-6(5H)-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-methyl-9h-13dioxolo45-jphenanthridin-65h-one.jpg "2D Structure of 5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-6(5H)-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.41% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.59% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.48% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.86% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.07% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.07% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.84% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.37% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.12% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.59% | 98.59% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.15% | 85.14% |
| CHEMBL240 | Q12809 | HERG | 84.51% | 89.76% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.32% | 80.78% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 81.95% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.63% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.54% | 94.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.41% | 96.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.48% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.13% | 92.62% |
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.
| Lapiedra martinezii |
| Zephyranthes candida |
| PubChem | 321176 |
| LOTUS | LTS0157135 |
| wikiData | Q82064604 |