(1S,6R,8R,11R,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
| Internal ID | 824a428f-9ed9-4ca2-a644-df9b9fe810e3 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,6R,8R,11R,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione |
| SMILES (Canonical) | CN1CCC23C4C5C(CC2=O)C6(C1)C(O6)COC5CC(=O)N4C7=C3C=CC(=C7O)OC |
| SMILES (Isomeric) | CN1CC[C@]23[C@@H]4[C@H]5[C@@H](CC2=O)[C@@]6(C1)[C@H](O6)CO[C@@H]5CC(=O)N4C7=C3C=CC(=C7O)OC |
| InChI | InChI=1S/C23H26N2O6/c1-24-6-5-22-11-3-4-13(29-2)20(28)19(11)25-17(27)8-14-18(21(22)25)12(7-15(22)26)23(10-24)16(31-23)9-30-14/h3-4,12,14,16,18,21,28H,5-10H2,1-2H3/t12-,14-,16-,18+,21+,22-,23+/m1/s1 |
| InChI Key | PVYMRWMCZVLLGM-QFFKGOSHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26N2O6 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.17908655 g/mol |
| Topological Polar Surface Area (TPSA) | 91.80 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of (1S,6R,8R,11R,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/71bb7be0-81c1-11ee-89a1-dbcc845a5548.jpg "2D Structure of (1S,6R,8R,11R,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.37% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.28% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.64% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.72% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.66% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.92% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 90.71% | 100.00% |
| CHEMBL204 | P00734 | Thrombin | 90.67% | 96.01% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.23% | 95.89% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.55% | 94.42% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.00% | 93.10% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 86.65% | 98.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.06% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.67% | 94.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.90% | 97.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.73% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.37% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.27% | 91.11% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 83.03% | 98.99% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.33% | 96.39% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.93% | 96.67% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.41% | 92.68% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.92% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.25% | 94.45% |
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 | 162932555 |
| LOTUS | LTS0210616 |
| wikiData | Q105215670 |