Schizozygin
| Internal ID | 8b2cf323-d3c4-4587-a23e-20cb3a31ab04 |
| Taxonomy | Alkaloids and derivatives > Schizozygine alkaloids |
| IUPAC Name | (1S,19R)-8,10-dioxa-4,17-diazaheptacyclo[15.4.3.01,18.04,19.05,13.07,11.014,19]tetracosa-5,7(11),12-triene |
| SMILES (Canonical) | C1CC23CCC45C2N(C1)CCC4C6=CC7=C(C=C6N5CC3)OCO7 |
| SMILES (Isomeric) | C1C[C@@]23CC[C@]45C2N(C1)CCC4C6=CC7=C(C=C6N5CC3)OCO7 |
| InChI | InChI=1S/C20H24N2O2/c1-3-19-4-5-20-14(2-8-21(7-1)18(19)20)13-10-16-17(24-12-23-16)11-15(13)22(20)9-6-19/h10-11,14,18H,1-9,12H2/t14?,18?,19-,20+/m0/s1 |
| InChI Key | FPOYZIKPNXUUMK-RFRULAFTSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C20H24N2O2 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 24.90 Ų |
| XlogP | 3.00 |
| CHEMBL2296052 |
| 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 | 95.15% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.76% | 91.11% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 94.67% | 80.96% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.56% | 94.45% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 93.31% | 90.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.15% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.83% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.15% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.17% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.46% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.18% | 98.95% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.06% | 99.18% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.43% | 94.80% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.38% | 94.78% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.03% | 95.50% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 82.92% | 96.11% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 82.12% | 83.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.81% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.29% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.15% | 93.04% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.64% | 95.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.37% | 96.09% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.16% | 91.43% |
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.
| Schizozygia coffaeoides |
| PubChem | 44631038 |
| LOTUS | LTS0249356 |
| wikiData | Q104999319 |