CID 26204194
| Internal ID | 85db9c89-b27d-4ecc-8eb5-ce703bb631f9 |
| Taxonomy | Alkaloids and derivatives > Schizozygine alkaloids |
| IUPAC Name | (1S,14S,18S,19R)-8,10-dioxa-4,17-diazaheptacyclo[15.4.3.01,18.04,19.05,13.07,11.014,19]tetracosa-5,7(11),12,22-tetraen-3-one |
| SMILES (Canonical) | C1CN2CC=CC34C2C5(C1C6=CC7=C(C=C6N5C(=O)C3)OCO7)CC4 |
| SMILES (Isomeric) | C1CN2CC=C[C@@]34[C@H]2[C@]5([C@@H]1C6=CC7=C(C=C6N5C(=O)C3)OCO7)CC4 |
| InChI | InChI=1S/C20H20N2O3/c23-17-10-19-3-1-6-21-7-2-13-12-8-15-16(25-11-24-15)9-14(12)22(17)20(13,5-4-19)18(19)21/h1,3,8-9,13,18H,2,4-7,10-11H2/t13-,18-,19-,20+/m0/s1 |
| InChI Key | DTBOGXTYLFTPCH-XCXWGBRNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20N2O3 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.14739250 g/mol |
| Topological Polar Surface Area (TPSA) | 42.00 Ų |
| XlogP | 1.70 |
| BDBM50480302 |
| AKOS040753978 |
| (1S,14S,18S,19R)-8,10-dioxa-4,17-diazaheptacyclo[15.4.3.01,18.04,19.05,13.07,11.014,19]tetracosa-5,7(11),12,22-tetraen-3-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 | 98.94% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.81% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.05% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.82% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.12% | 85.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 92.10% | 90.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.62% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.22% | 100.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.70% | 80.96% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.46% | 94.80% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.45% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.21% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.88% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.34% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.85% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.16% | 95.89% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 83.46% | 96.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.04% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.32% | 82.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.26% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.46% | 90.71% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 80.31% | 88.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.20% | 95.56% |
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 | 26204194 |
| LOTUS | LTS0239357 |
| wikiData | Q104988176 |