Avicine
| Internal ID | f02eb761-90c3-46d1-bd28-02b8392a6fb8 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 12-methyl-5,7,17,19-tetraoxa-12-azoniahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene |
| SMILES (Canonical) | C[N+]1=CC2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OCO3 |
| SMILES (Isomeric) | C[N+]1=CC2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OCO3 |
| InChI | InChI=1S/C20H14NO4/c1-21-8-12-5-17-18(24-10-23-17)6-14(12)13-3-2-11-4-16-19(25-9-22-16)7-15(11)20(13)21/h2-8H,9-10H2,1H3/q+1 |
| InChI Key | IUMDBPMWPHHBDU-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H14NO4+ |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.09228293 g/mol |
| Topological Polar Surface Area (TPSA) | 40.80 Ų |
| XlogP | 4.40 |
| Avicine |
| SCHEMBL13170174 |
| BDBM50591665 |
| 1,3-Benzodioxolo[5,6-c][1,3]dioxolo[4,5-j]phenanthridinium, 5-methyl- |
| Q63408949 |
| 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 | 94.31% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.17% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.21% | 94.80% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.85% | 92.51% |
| CHEMBL240 | Q12809 | HERG | 89.34% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.88% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.77% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.02% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.76% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.21% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.58% | 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.
| Toddalia asiatica |
| Zanthoxylum integrifoliolum |
| Zanthoxylum simulans |
| PubChem | 356657 |
| LOTUS | LTS0145567 |
| wikiData | Q63408949 |