2-[(13S)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]acetaldehyde
| Internal ID | fc1e0388-ffba-4a4d-88cb-10517f4596a9 |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Dihydrobenzophenanthridine alkaloids |
| IUPAC Name | 2-[(13S)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]acetaldehyde |
| SMILES (Canonical) | CN1C(C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)CC=O |
| SMILES (Isomeric) | CN1[C@H](C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)CC=O |
| InChI | InChI=1S/C23H21NO5/c1-24-17(8-9-25)21-14(6-7-18(26-2)23(21)27-3)15-5-4-13-10-19-20(29-12-28-19)11-16(13)22(15)24/h4-7,9-11,17H,8,12H2,1-3H3/t17-/m0/s1 |
| InChI Key | IINIJJSJDKBSBU-KRWDZBQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H21NO5 |
| Molecular Weight | 391.40 g/mol |
| Exact Mass | 391.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 2-[(13S)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]acetaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/2-13s-12-dimethoxy-12-methyl-13h-13benzodioxolo56-cphenanthridin-13-ylacetaldehyde.jpg "2D Structure of 2-[(13S)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]acetaldehyde")
| 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 | 96.16% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.25% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.68% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.40% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.09% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.47% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.89% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.31% | 90.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 90.72% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.05% | 90.24% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 87.78% | 95.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.72% | 94.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.61% | 80.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.02% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.86% | 99.17% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.64% | 92.38% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.28% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.88% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.78% | 94.75% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.28% | 89.44% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.67% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.44% | 100.00% |
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 | 163059311 |
| LOTUS | LTS0099096 |
| wikiData | Q105113632 |