Sanguirubine
| Internal ID | ea0fb8bd-7711-4015-806d-5137363684da |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Quaternary benzophenanthridine alkaloids |
| IUPAC Name | 3,16,17-trimethoxy-12-methyl-6,8-dioxa-12-azoniapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2,4,9,11,14,16,18,20-nonaene |
| SMILES (Canonical) | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC(=C(C=C5C=C4)OC)OC)OC)OCO3 |
| SMILES (Isomeric) | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC(=C(C=C5C=C4)OC)OC)OC)OCO3 |
| InChI | InChI=1S/C22H20NO5/c1-23-10-15-20(18(26-4)9-19-22(15)28-11-27-19)13-6-5-12-7-16(24-2)17(25-3)8-14(12)21(13)23/h5-10H,11H2,1-4H3/q+1 |
| InChI Key | FUAPOWMHFINSMM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H20NO5+ |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.13414774 g/mol |
| Topological Polar Surface Area (TPSA) | 50.00 Ų |
| XlogP | 4.50 |
| C12230 |
| AC1L78VM |
| AC1Q701F |
| CHEBI:32118 |
| benzo[c]-1,3-dioxolo[4,5-i]phenanthridinium, 5,9,10-trimethoxy-12-methyl- |
| Q27114791 |
| 3,16,17-trimethoxy-12-methyl-6,8-dioxa-12-azoniapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2,4,9,11,14,16,18,20-nonaene |
| 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 | 97.04% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.12% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.85% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.47% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.78% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.65% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.66% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.45% | 92.94% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.35% | 85.30% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.48% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.01% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.77% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.52% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.78% | 94.80% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.49% | 92.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.41% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.68% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.51% | 82.67% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.47% | 91.79% |
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.
| Sanguinaria canadensis |
| PubChem | 356662 |
| LOTUS | LTS0077263 |
| wikiData | Q27114791 |