(12S)-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-16-ol
| Internal ID | 5694997a-2275-4041-b489-4588ab60d6f8 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12S)-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-16-ol |
| SMILES (Canonical) | C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5 |
| SMILES (Isomeric) | C1CN[C@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5 |
| InChI | InChI=1S/C17H15NO3/c19-11-1-2-12-10(5-11)6-13-15-9(3-4-18-13)7-14-17(16(12)15)21-8-20-14/h1-2,5,7,13,18-19H,3-4,6,8H2/t13-/m0/s1 |
| InChI Key | LTSPCGWFQLHECP-ZDUSSCGKSA-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 (12S)-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-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/16f0e740-85f0-11ee-a019-13051535bfdf.jpg "2D Structure of (12S)-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-16-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 | 98.86% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.93% | 98.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.44% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.88% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.65% | 98.95% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.67% | 97.64% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.47% | 82.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.13% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.85% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.58% | 94.45% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.31% | 85.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.64% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.46% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.45% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.33% | 95.62% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.83% | 95.78% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.96% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.89% | 96.09% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 83.31% | 93.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.80% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 82.75% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.23% | 96.21% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.06% | 91.79% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.23% | 88.48% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 80.98% | 95.55% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.89% | 89.62% |
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.
| Asimina triloba |
| PubChem | 162888608 |
| LOTUS | LTS0036657 |
| wikiData | Q105157143 |