Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl-
| Internal ID | f04ef3e7-a793-46d0-86b3-c41c4b8ab3a1 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives |
| IUPAC Name | 16,17-dimethoxy-12-methyl-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaene |
| SMILES (Canonical) | CC1=C2C=CC3=C(C2=C[N+]4=C1C5=CC(=C(C=C5C=C4)OC)OC)OCO3 |
| SMILES (Isomeric) | CC1=C2C=CC3=C(C2=C[N+]4=C1C5=CC(=C(C=C5C=C4)OC)OC)OCO3 |
| InChI | InChI=1S/C21H18NO4/c1-12-14-4-5-17-21(26-11-25-17)16(14)10-22-7-6-13-8-18(23-2)19(24-3)9-15(13)20(12)22/h4-10H,11H2,1-3H3/q+1 |
| InChI Key | TWSZDJCOYVYRGM-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C21H18NO4+ |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.12358306 g/mol |
| Topological Polar Surface Area (TPSA) | 41.00 Ų |
| XlogP | 5.40 |
| Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl- |
| 16,17-dimethoxy-12-methyl-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaene |
| SCHEMBL13349142 |
| DTXSID40232227 |
| HY-N2588 |
| AKOS032946061 |
| CS-0022932 |
| E80830 |
| 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 |
|---|---|---|---|---|
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.82% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.55% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.01% | 96.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 91.85% | 92.51% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.83% | 96.77% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.69% | 93.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.08% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.02% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.86% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.64% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.48% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.87% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.80% | 94.45% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 86.46% | 92.38% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.92% | 82.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.10% | 98.75% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 83.79% | 95.39% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.94% | 98.95% |
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.
| Fumaria capreolata |
| Fumaria indica |
| Fumaria parviflora |
| Menispermum canadense |
| PubChem | 158329 |
| LOTUS | LTS0174842 |
| wikiData | Q72461828 |