(1S,11S,13S,14R,15R,19R)-14,15-dimethoxy-20-methyl-19-(2-oxopropyl)-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-one
| Internal ID | f9928802-268f-46a5-aeb4-f937f3bb2c74 |
| Taxonomy | Alkaloids and derivatives > Hasubanan alkaloids |
| IUPAC Name | (1S,11S,13S,14R,15R,19R)-14,15-dimethoxy-20-methyl-19-(2-oxopropyl)-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-one |
| SMILES (Canonical) | CC(=O)CC1CC23CC(=O)C(C4(C2(N1C)CC(O4)C5=CC6=C(C=C35)OCO6)OC)OC |
| SMILES (Isomeric) | CC(=O)C[C@H]1C[C@@]23CC(=O)[C@H]([C@]4([C@]2(N1C)C[C@H](O4)C5=CC6=C(C=C35)OCO6)OC)OC |
| InChI | InChI=1S/C23H27NO7/c1-12(25)5-13-8-21-9-16(26)20(27-3)23(28-4)22(21,24(13)2)10-19(31-23)14-6-17-18(7-15(14)21)30-11-29-17/h6-7,13,19-20H,5,8-11H2,1-4H3/t13-,19-,20+,21-,22-,23-/m0/s1 |
| InChI Key | SOMHCTSZFQAYCX-UCAREMGMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H27NO7 |
| Molecular Weight | 429.50 g/mol |
| Exact Mass | 429.17875220 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (1S,11S,13S,14R,15R,19R)-14,15-dimethoxy-20-methyl-19-(2-oxopropyl)-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/eed209e0-859e-11ee-b9ec-0149543b665e.jpg "2D Structure of (1S,11S,13S,14R,15R,19R)-14,15-dimethoxy-20-methyl-19-(2-oxopropyl)-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.22% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.72% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.32% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.55% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.55% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.39% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.12% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.53% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.75% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.52% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.07% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.56% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.99% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.11% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.97% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.81% | 97.09% |
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.
| Pericampylus glaucus |
| PubChem | 163001429 |
| LOTUS | LTS0078058 |
| wikiData | Q105257049 |