Spiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one
| Internal ID | 4284edc2-96f7-45d0-acd3-72489c77f3bb |
| Taxonomy | Alkaloids and derivatives > Proaporphines |
| IUPAC Name | spiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one |
| SMILES (Canonical) | C1CNC2CC3(C=CC(=O)C=C3)C4=C2C1=CC5=C4OCO5 |
| SMILES (Isomeric) | C1CNC2CC3(C=CC(=O)C=C3)C4=C2C1=CC5=C4OCO5 |
| InChI | InChI=1S/C17H15NO3/c19-11-1-4-17(5-2-11)8-12-14-10(3-6-18-12)7-13-16(15(14)17)21-9-20-13/h1-2,4-5,7,12,18H,3,6,8-9H2 |
| InChI Key | DHYMTFPQLJAYHV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.30 g/mol |
| Exact Mass | 281.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of Spiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one](https://plantaedb.com/storage/docs/compounds/2023/11/f1820200-8702-11ee-8fd1-9d6718319636.jpg "2D Structure of Spiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-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 | 98.34% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.52% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.66% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.22% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.99% | 94.80% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.76% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.41% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.36% | 92.62% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.57% | 80.96% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.52% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.99% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.62% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.50% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.16% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.33% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.90% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.17% | 91.49% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.15% | 88.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.32% | 86.33% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.86% | 96.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.80% | 96.38% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.55% | 82.67% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.09% | 86.00% |
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.
| Annona squamosa |
| PubChem | 163036312 |
| LOTUS | LTS0193375 |
| wikiData | Q104980987 |