(1R,12S,13R)-12-hydroxy-13,24-dimethyl-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-23-one
| Internal ID | a430d8dd-f287-4977-b9bf-0cb8f990d5be |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Hexahydrobenzophenanthridine alkaloids |
| IUPAC Name | (1R,12S,13R)-12-hydroxy-13,24-dimethyl-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-23-one |
| SMILES (Canonical) | CC12C(CC3=CC4=C(C=C3C1N(C(=O)C5=C2C=CC6=C5OCO6)C)OCO4)O |
| SMILES (Isomeric) | C[C@]12[C@H](CC3=CC4=C(C=C3[C@H]1N(C(=O)C5=C2C=CC6=C5OCO6)C)OCO4)O |
| InChI | InChI=1S/C21H19NO6/c1-21-12-3-4-13-18(28-9-25-13)17(12)20(24)22(2)19(21)11-7-15-14(26-8-27-15)5-10(11)6-16(21)23/h3-5,7,16,19,23H,6,8-9H2,1-2H3/t16-,19+,21-/m0/s1 |
| InChI Key | KUCVHCLYIAWDLU-SCWSEQNSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H19NO6 |
| Molecular Weight | 381.40 g/mol |
| Exact Mass | 381.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (1R,12S,13R)-12-hydroxy-13,24-dimethyl-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-23-one](https://plantaedb.com/storage/docs/compounds/2023/11/645d85b0-83b8-11ee-9404-cfcfca57669b.jpg "2D Structure of (1R,12S,13R)-12-hydroxy-13,24-dimethyl-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-23-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.91% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.88% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.82% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.88% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.88% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.45% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.32% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.59% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.75% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.32% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.94% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.20% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.19% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.39% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.32% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.47% | 95.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.48% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.36% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.51% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.17% | 93.04% |
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 incisa |
| PubChem | 132558697 |
| LOTUS | LTS0228970 |
| wikiData | Q105146087 |