(12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-10-one
| Internal ID | 62666702-46b2-4b43-893f-5b89fa7bd51d |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-10-one |
| SMILES (Canonical) | C1C2C3=C(C4=CC=CC=C41)C5=C(C=C3CC(=O)N2)OCO5 |
| SMILES (Isomeric) | C1[C@@H]2C3=C(C4=CC=CC=C41)C5=C(C=C3CC(=O)N2)OCO5 |
| InChI | InChI=1S/C17H13NO3/c19-14-7-10-6-13-17(21-8-20-13)16-11-4-2-1-3-9(11)5-12(18-14)15(10)16/h1-4,6,12H,5,7-8H2,(H,18,19)/t12-/m1/s1 |
| InChI Key | MSCYPDAELCIJKB-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H13NO3 |
| Molecular Weight | 279.29 g/mol |
| Exact Mass | 279.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/12r-35-dioxa-11-azapentacyclo1071026082001419icosa-120267141618-hexaen-10-one.jpg "2D Structure of (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-10-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 | 98.59% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.88% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.45% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.25% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.12% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.10% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.11% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.69% | 94.80% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.37% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.22% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.61% | 93.40% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.61% | 96.00% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 82.26% | 92.17% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 82.17% | 81.29% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.67% | 90.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.44% | 96.21% |
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.
| Siparuna guianensis |
| PubChem | 163086408 |
| LOTUS | LTS0030442 |
| wikiData | Q105171093 |