1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[6,5-c]phenanthridin-13-yl)tridecan-2-one
| Internal ID | 5a1efb27-ba04-4697-bc5b-71002be74db6 |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Dihydrobenzophenanthridine alkaloids |
| IUPAC Name | 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)tridecan-2-one |
| SMILES (Canonical) | CCCCCCCCCCCC(=O)CC1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5 |
| SMILES (Isomeric) | CCCCCCCCCCCC(=O)CC1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5 |
| InChI | InChI=1S/C34H43NO5/c1-5-6-7-8-9-10-11-12-13-14-24(36)20-28-32-25(17-18-29(37-3)34(32)38-4)26-16-15-23-19-30-31(40-22-39-30)21-27(23)33(26)35(28)2/h15-19,21,28H,5-14,20,22H2,1-4H3 |
| InChI Key | ULAQTLKOKMNMPJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C34H43NO5 |
| Molecular Weight | 545.70 g/mol |
| Exact Mass | 545.31412347 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 9.10 |
| 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[6,5-c]phenanthridin-13-yl)tridecan-2-one |
![2D Structure of 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[6,5-c]phenanthridin-13-yl)tridecan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-12-dimethoxy-12-methyl-13h-13benzodioxolo65-cphenanthridin-13-yltridecan-2-one.jpg "2D Structure of 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[6,5-c]phenanthridin-13-yl)tridecan-2-one")
| 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 | 98.58% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.24% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.73% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.29% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.68% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.17% | 92.62% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.03% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.55% | 86.33% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.92% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.79% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.30% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.71% | 89.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.93% | 80.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.09% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.81% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.41% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.82% | 90.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.78% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.41% | 99.23% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.27% | 89.50% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.27% | 82.38% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.21% | 90.24% |
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.
| Zanthoxylum integrifoliolum |
| PubChem | 71598516 |
| LOTUS | LTS0096563 |
| wikiData | Q105274992 |