Chelirubine
| Internal ID | 003a8e85-19a0-490d-a155-b876f9644b45 |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Quaternary benzophenanthridine alkaloids |
| IUPAC Name | 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene |
| SMILES (Canonical) | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3 |
| SMILES (Isomeric) | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3 |
| InChI | InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1 |
| InChI Key | RNSBFHHWMMKJAM-UHFFFAOYSA-N |
| Popularity | 19 references in papers |
| Molecular Formula | C21H16NO5+ |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.10284761 g/mol |
| Topological Polar Surface Area (TPSA) | 50.00 Ų |
| XlogP | 4.40 |
| 18203-11-7 |
| XQ9RQW6TBJ |
| [1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 5-methoxy-13-methyl- |
| (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 5-methoxy-13-methyl- |
| 5-methoxy-13-methyl-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium |
| BOCCONINE |
| UNII-XQ9RQW6TBJ |
| C06327 |
| SCHEMBL891378 |
| CHEMBL4751513 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.42% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.50% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.35% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.74% | 85.30% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.92% | 94.80% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.25% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.15% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.27% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.81% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.72% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.32% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.65% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.70% | 93.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.27% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.20% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.47% | 95.89% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.46% | 92.38% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.67% | 80.96% |
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.
| Chelidonium majus |
| Dicranostigma lactucoides |
| Eschscholzia californica |
| Glaucium squamigerum |
| Macleaya cordata |
| Papaver oreophilum |
| Sanguinaria canadensis |
| Stylophorum diphyllum |
| Stylophorum lasiocarpum |
| PubChem | 161243 |
| LOTUS | LTS0154636 |
| wikiData | Q3667037 |