(1S,11S,15S,16R)-7-methoxy-4,14-diazahexacyclo[12.4.3.01,15.04,16.05,10.011,16]henicosa-5(10),6,8,19-tetraen-3-one
| Internal ID | e8b7e013-c403-4c2c-9450-3c28f51482b9 |
| Taxonomy | Alkaloids and derivatives > Schizozygine alkaloids |
| IUPAC Name | (1S,11S,15S,16R)-7-methoxy-4,14-diazahexacyclo[12.4.3.01,15.04,16.05,10.011,16]henicosa-5(10),6,8,19-tetraen-3-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3CCN4CC=CC56C4C3(N2C(=O)C5)CC6 |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)[C@@H]3CCN4CC=C[C@@]56[C@H]4[C@@]3(N2C(=O)C5)CC6 |
| InChI | InChI=1S/C20H22N2O2/c1-24-13-3-4-14-15-5-10-21-9-2-6-19-7-8-20(15,18(19)21)22(16(14)11-13)17(23)12-19/h2-4,6,11,15,18H,5,7-10,12H2,1H3/t15-,18-,19-,20+/m0/s1 |
| InChI Key | SHYHYDUMGTVXAM-MVJPYGJCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1S,11S,15S,16R)-7-methoxy-4,14-diazahexacyclo[12.4.3.01,15.04,16.05,10.011,16]henicosa-5(10),6,8,19-tetraen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/c0eae9f0-853f-11ee-9819-4b5eaf5eb278.jpg "2D Structure of (1S,11S,15S,16R)-7-methoxy-4,14-diazahexacyclo[12.4.3.01,15.04,16.05,10.011,16]henicosa-5(10),6,8,19-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.05% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.33% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.07% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.66% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.56% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.28% | 95.56% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 90.63% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.86% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.24% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.84% | 96.77% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.41% | 99.18% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 87.92% | 91.96% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.72% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.71% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.32% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.61% | 90.24% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.37% | 97.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.18% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.99% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.99% | 97.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.14% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.04% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.47% | 93.31% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.47% | 95.53% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.13% | 96.43% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.05% | 95.89% |
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 | 101967173 |
| LOTUS | LTS0079936 |
| wikiData | Q105253357 |