21,22-Dihydro-21-alpha,22-alpha-epoxyvomicine
| Internal ID | 2857779d-d9de-4497-b6aa-2000a47a2e05 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 16-hydroxy-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 |
| SMILES (Isomeric) | CN1CCC23C4C5C(CC2=O)C6(C1)C(O6)COC5CC(=O)N4C7=C3C=CC=C7O |
| InChI | InChI=1S/C22H24N2O5/c1-23-6-5-21-11-3-2-4-13(25)19(11)24-17(27)8-14-18(20(21)24)12(7-15(21)26)22(10-23)16(29-22)9-28-14/h2-4,12,14,16,18,20,25H,5-10H2,1H3 |
| InChI Key | LNLMCLDEZUWTRG-UHFFFAOYSA-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 | -0.30 |
| 21,22-Dihydro-21-alpha,22-alpha-epoxyvomicine |
| 21,22-alpha-Epoxyvomicine |
| BRN 1190152 |
| 21-alpha,22-alpha-Epoxy-21,22-dihydrovomicine |
| 6-hydroxy-13-methyl-1a,2,3a,4,9c,9d,11,11a-octahydro-5h,10h-9b,11b-(ethanoiminomethano)-1,3-dioxa-5a-azacyclopropa[4,5]cyclohepta[1,2,3-cd]fluoranthene-5,10-dione |
| Vomicine, 21,22-dihydro-21-alpha,22-alpha-epoxy- |
| DTXSID60944633 |
| 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 | 98.30% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.49% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.09% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.93% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.90% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.41% | 96.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 92.37% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.50% | 93.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.08% | 86.33% |
| CHEMBL204 | P00734 | Thrombin | 90.23% | 96.01% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.17% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.67% | 94.75% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.99% | 96.39% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.94% | 93.03% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.22% | 91.38% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.54% | 97.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.36% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.15% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.83% | 95.89% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.96% | 96.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.59% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.44% | 94.73% |
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 | 210989 |
| LOTUS | LTS0120743 |
| wikiData | Q82921870 |