(1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione
| Internal ID | 39bcc3c6-20cf-45b2-bf4a-ed253d120695 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C34CCNCC56C(O5)COC7CC(=O)N2C3C7C6(CC4=O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)[C@@]34CCNC[C@]56[C@H](O5)CO[C@@H]7CC(=O)N2[C@H]3[C@H]7[C@]6(CC4=O)O)OC |
| InChI | InChI=1S/C23H26N2O7/c1-29-13-5-11-12(6-14(13)30-2)25-18(27)7-15-19-20(25)21(11)3-4-24-10-23(17(32-23)9-31-15)22(19,28)8-16(21)26/h5-6,15,17,19-20,24,28H,3-4,7-10H2,1-2H3/t15-,17-,19+,20+,21-,22+,23-/m1/s1 |
| InChI Key | YROKDQUJJIAIBL-ORCPJIKOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26N2O7 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.17400117 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | -1.50 |
| There are no found synonyms. |
![2D Structure of (1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e4b29a90-85a8-11ee-aa07-5529f00d066e.jpg "2D Structure of (1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.22% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.88% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.51% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.26% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.08% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.81% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.72% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.35% | 97.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.54% | 91.11% |
| CHEMBL204 | P00734 | Thrombin | 89.66% | 96.01% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.54% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.95% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.21% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.65% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.78% | 95.89% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 84.33% | 98.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.87% | 96.39% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.18% | 92.98% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.09% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.06% | 94.45% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.56% | 100.00% |
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.
| Strychnos icaja |
| PubChem | 162948791 |
| LOTUS | LTS0274295 |
| wikiData | Q105352926 |