(1R,11R,15R,16S)-7,8-dimethoxy-4,14-diazahexacyclo[12.4.3.01,15.04,16.05,10.011,16]henicosa-5,7,9,19-tetraen-3-one
| Internal ID | 22dc7979-62c1-4332-8c1c-74bcc2f0b8c7 |
| Taxonomy | Alkaloids and derivatives > Schizozygine alkaloids |
| IUPAC Name | (1R,11R,15R,16S)-7,8-dimethoxy-4,14-diazahexacyclo[12.4.3.01,15.04,16.05,10.011,16]henicosa-5,7,9,19-tetraen-3-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3CCN4CC=CC56C4C3(N2C(=O)C5)CC6)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)[C@H]3CCN4CC=C[C@]56[C@@H]4[C@]3(N2C(=O)C5)CC6)OC |
| InChI | InChI=1S/C21H24N2O3/c1-25-16-10-13-14-4-9-22-8-3-5-20-6-7-21(14,19(20)22)23(18(24)12-20)15(13)11-17(16)26-2/h3,5,10-11,14,19H,4,6-9,12H2,1-2H3/t14-,19-,20-,21+/m1/s1 |
| InChI Key | IWRWXSVJPLAGIK-OOBDGNPPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 42.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1R,11R,15R,16S)-7,8-dimethoxy-4,14-diazahexacyclo[12.4.3.01,15.04,16.05,10.011,16]henicosa-5,7,9,19-tetraen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/86655d40-86c9-11ee-85db-7fff2c4216b4.jpg "2D Structure of (1R,11R,15R,16S)-7,8-dimethoxy-4,14-diazahexacyclo[12.4.3.01,15.04,16.05,10.011,16]henicosa-5,7,9,19-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.76% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.50% | 91.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.84% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.77% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.15% | 97.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.65% | 90.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.12% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.94% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.28% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.73% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.38% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.49% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.22% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.14% | 93.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.13% | 92.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.98% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.35% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.20% | 86.33% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.17% | 99.18% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.03% | 93.04% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.40% | 95.53% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.72% | 91.96% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.17% | 98.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.17% | 92.38% |
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 | 163047661 |
| LOTUS | LTS0133996 |
| wikiData | Q105121830 |