8-Acetonyldihydronitidine
| Internal ID | a7f6934e-7012-4fad-a414-c3023decfbf2 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 1-(2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)propan-2-one |
| SMILES (Canonical) | CC(=O)CC1C2=CC(=C(C=C2C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5)OC)OC |
| SMILES (Isomeric) | CC(=O)CC1C2=CC(=C(C=C2C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5)OC)OC |
| InChI | InChI=1S/C24H23NO5/c1-13(26)7-19-18-11-21(28-4)20(27-3)10-17(18)15-6-5-14-8-22-23(30-12-29-22)9-16(14)24(15)25(19)2/h5-6,8-11,19H,7,12H2,1-4H3 |
| InChI Key | OLYNXAXGZUKQDD-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C24H23NO5 |
| Molecular Weight | 405.40 g/mol |
| Exact Mass | 405.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 3.90 |
| 80330-39-8 |
| 1-(2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)propan-2-one |
| DTXSID001345815 |
| AKOS040734334 |
| FS-7680 |
| 1-(2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[6,5-c]phenanthridin-13-yl)propan-2-one |
| 1-(2,3-Dimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)acetone |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.85% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.69% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.40% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.42% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.13% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.65% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.92% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.13% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.50% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.40% | 90.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.36% | 89.44% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.74% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.65% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.64% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.36% | 91.11% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.25% | 89.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.31% | 94.45% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.45% | 85.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.77% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.06% | 95.89% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.30% | 80.78% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.40% | 89.67% |
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.
| Citrus lucida |
| Zanthoxylum rhoifolium |
| Zanthoxylum tetraspermum |
| PubChem | 10740045 |
| LOTUS | LTS0083715 |
| wikiData | Q105194198 |