3,5-Dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
| Internal ID | 3e5efc4f-d333-4d96-b2d8-dcb9e7cd256f |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol |
| SMILES (Canonical) | C1CNC2CC3=C(C=C(C=C3)O)C4=C2C1=CC5=C4OCO5 |
| SMILES (Isomeric) | C1CNC2CC3=C(C=C(C=C3)O)C4=C2C1=CC5=C4OCO5 |
| InChI | InChI=1S/C17H15NO3/c19-11-2-1-9-5-13-15-10(3-4-18-13)6-14-17(21-8-20-14)16(15)12(9)7-11/h1-2,6-7,13,18-19H,3-5,8H2 |
| InChI Key | MAWRLMCDVKBYJB-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) | 50.70 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 3,5-Dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol](https://plantaedb.com/storage/docs/compounds/2023/11/35-dioxa-11-azapentacyclo1071026082001419icosa-12026714191517-hexaen-17-ol.jpg "2D Structure of 3,5-Dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.89% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.46% | 97.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.44% | 91.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.59% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.18% | 100.00% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 89.10% | 95.55% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.05% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.93% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.45% | 96.09% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.02% | 88.48% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.68% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.81% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.68% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.82% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.21% | 82.67% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.99% | 99.35% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.09% | 93.40% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.46% | 85.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.89% | 95.62% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.42% | 98.35% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.03% | 96.21% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.00% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.13% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.99% | 92.62% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.73% | 97.93% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.18% | 96.77% |
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 |
| Neolitsea dealbata |
| PubChem | 71199252 |
| LOTUS | LTS0136560 |
| wikiData | Q105160555 |