(1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-4-methyl-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 | 315dedd3-cf71-473e-bc5c-6fe31529c9d4 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-4-methyl-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) | CN1CCC23C4C5C(CC(=O)N4C6=CC=CC=C62)OCC7C(C1)(C5(CC3=O)O)O7 |
| SMILES (Isomeric) | CN1CC[C@@]23[C@@H]4[C@@H]5[C@@H](CC(=O)N4C6=CC=CC=C62)OC[C@@H]7[C@](C1)([C@@]5(CC3=O)O)O7 |
| InChI | InChI=1S/C22H24N2O5/c1-23-7-6-20-12-4-2-3-5-13(12)24-17(26)8-14-18(19(20)24)21(27,9-15(20)25)22(11-23)16(29-22)10-28-14/h2-5,14,16,18-19,27H,6-11H2,1H3/t14-,16-,18+,19+,20-,21+,22-/m1/s1 |
| InChI Key | LFRUIFVGLYORRJ-JGCJNFGPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24N2O5 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 82.60 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of (1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-4-methyl-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/2023/11/2fa45dd0-86e4-11ee-8455-cfdf2f8508ef.jpg "2D Structure of (1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-4-methyl-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 |
|---|---|---|---|---|
| CHEMBL204 | P00734 | Thrombin | 98.31% | 96.01% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.41% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.51% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.04% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.88% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.01% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.42% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.09% | 93.65% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.89% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.40% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.28% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.73% | 91.11% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.68% | 85.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.65% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.58% | 93.40% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.85% | 93.03% |
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 | 163100172 |
| LOTUS | LTS0177030 |
| wikiData | Q105151152 |