4,5-Dihydro[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridinium
| Internal ID | 0c6730bd-41eb-4b1a-9bac-e5d1b0db628b |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaene |
| SMILES (Canonical) | C1C[N+]2=CC3=CC4=C(C=C3C5=CC=CC1=C52)OCO4 |
| SMILES (Isomeric) | C1C[N+]2=CC3=CC4=C(C=C3C5=CC=CC1=C52)OCO4 |
| InChI | InChI=1S/C16H12NO2/c1-2-10-4-5-17-8-11-6-14-15(19-9-18-14)7-13(11)12(3-1)16(10)17/h1-3,6-8H,4-5,9H2/q+1 |
| InChI Key | HEPAETZTOMPKRE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H12NO2+ |
| Molecular Weight | 250.27 g/mol |
| Exact Mass | 250.086803626 g/mol |
| Topological Polar Surface Area (TPSA) | 22.30 Ų |
| XlogP | 3.40 |
| NCI60_002214 |
| 4,5-Dihydro[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridinium |
| Neuro_000139 |
| SN3G736TW3 |
| CHEMBL1186803 |
| 94054-30-5 |
| [1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridinium, 4,5-dihydro- |
| 5,7-dioxa-12lambda5-azapentacyclo[10.6.1.0{2,10}.0{4,8}.0{15,19}]nonadeca-1(19),2,4(8),9,11,15,17-heptaen-12-ylium |
![2D Structure of 4,5-Dihydro[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridinium](https://plantaedb.com/storage/docs/compounds/2023/11/45-dihydro13dioxolo45-jpyrrolo321-dephenanthridinium.jpg "2D Structure of 4,5-Dihydro[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridinium")
| 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 | 95.51% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.47% | 93.99% |
| CHEMBL240 | Q12809 | HERG | 93.36% | 89.76% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.84% | 96.77% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.64% | 92.51% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.48% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.05% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.00% | 94.73% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 88.34% | 96.42% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 87.57% | 81.29% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.48% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.48% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.33% | 98.95% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.18% | 96.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.90% | 94.45% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.20% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.94% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.60% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.43% | 93.40% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.32% | 96.39% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.50% | 80.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.05% | 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.
| Amaryllis belladonna |
| Crinum asiaticum |
| PubChem | 181303 |
| LOTUS | LTS0170220 |
| wikiData | Q104393990 |