16,23-Dihydroxy-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 | b94b4138-6ea2-4b13-bd3e-936cda74d989 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 16,23-dihydroxy-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(CC(=O)N4C6=C2C=CC=C6O)OCC7C(C1)(C5(CC3=O)O)O7 |
| SMILES (Isomeric) | CN1CCC23C4C5C(CC(=O)N4C6=C2C=CC=C6O)OCC7C(C1)(C5(CC3=O)O)O7 |
| InChI | InChI=1S/C22H24N2O6/c1-23-6-5-20-11-3-2-4-12(25)18(11)24-16(27)7-13-17(19(20)24)21(28,8-14(20)26)22(10-23)15(30-22)9-29-13/h2-4,13,15,17,19,25,28H,5-10H2,1H3 |
| InChI Key | QNRVWPGBSWVCOC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24N2O6 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.16343649 g/mol |
| Topological Polar Surface Area (TPSA) | 103.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of 16,23-Dihydroxy-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/2023/11/981ea250-83bc-11ee-844d-97d746c568bd.jpg "2D Structure of 16,23-Dihydroxy-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 |
|---|---|---|---|---|
| CHEMBL204 | P00734 | Thrombin | 97.38% | 96.01% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.32% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.87% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.94% | 93.40% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.27% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.77% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.16% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.38% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.86% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.82% | 91.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.42% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.92% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.11% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.11% | 85.11% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.38% | 96.39% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.21% | 93.65% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.00% | 93.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.05% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.19% | 97.25% |
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 | 162953009 |
| LOTUS | LTS0166298 |
| wikiData | Q105224626 |