[13,24-Dimethyl-23-(2-oxopropyl)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate
| Internal ID | 88769a26-6c8c-4a9e-90c7-36cd24a79912 |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Hexahydrobenzophenanthridine alkaloids |
| IUPAC Name | [13,24-dimethyl-23-(2-oxopropyl)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate |
| SMILES (Canonical) | CC(=O)CC1C2=C(C=CC3=C2OCO3)C4(C(CC5=CC6=C(C=C5C4N1C)OCO6)OC(=O)C)C |
| SMILES (Isomeric) | CC(=O)CC1C2=C(C=CC3=C2OCO3)C4(C(CC5=CC6=C(C=C5C4N1C)OCO6)OC(=O)C)C |
| InChI | InChI=1S/C26H27NO7/c1-13(28)7-18-23-17(5-6-19-24(23)33-12-30-19)26(3)22(34-14(2)29)9-15-8-20-21(32-11-31-20)10-16(15)25(26)27(18)4/h5-6,8,10,18,22,25H,7,9,11-12H2,1-4H3 |
| InChI Key | QNWHWSOSMRYOOT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H27NO7 |
| Molecular Weight | 465.50 g/mol |
| Exact Mass | 465.17875220 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [13,24-Dimethyl-23-(2-oxopropyl)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/cb1b5910-847e-11ee-be9c-27c775e754c6.jpg "2D Structure of [13,24-Dimethyl-23-(2-oxopropyl)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.22% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.43% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.14% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.67% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.51% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.03% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.99% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.38% | 96.77% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.55% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.53% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.21% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.85% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.68% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.29% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.51% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.28% | 89.00% |
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.
| Corydalis bulleyana |
| Corydalis conspersa |
| Corydalis taliensis |
| PubChem | 162945857 |
| LOTUS | LTS0275662 |
| wikiData | Q105224684 |