Chlorajapolide B, (rel)-
| Internal ID | 19eddc34-b0fb-4182-a9f8-20e7098fb777 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | (1S,2R,4S,6S,8R,13S)-6-hydroxy-1,10-dimethyl-7,12-dioxapentacyclo[6.6.1.02,4.05,15.09,13]pentadeca-5(15),9-dien-11-one |
| SMILES (Canonical) | CC1=C2C(CC3(C4CC4C5=C3C2OC5O)C)OC1=O |
| SMILES (Isomeric) | CC1=C2[C@H](C[C@]3([C@@H]4C[C@@H]4C5=C3[C@H]2O[C@@H]5O)C)OC1=O |
| InChI | InChI=1S/C15H16O4/c1-5-9-8(18-13(5)16)4-15(2)7-3-6(7)10-11(15)12(9)19-14(10)17/h6-8,12,14,17H,3-4H2,1-2H3/t6-,7+,8-,12-,14-,15-/m0/s1 |
| InChI Key | IIFNVNIPMCRQPC-YIEVAYSQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H16O4 |
| Molecular Weight | 260.28 g/mol |
| Exact Mass | 260.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | -0.10 |
| CHEBI:70172 |
| Chlorajapolide B |
| CHEMBL1668790 |
| SCHEMBL30190141 |
| Q27138513 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.72% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.59% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.08% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.53% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.60% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.53% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.96% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.92% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.47% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.47% | 89.00% |
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.
| Chloranthus serratus |
| PubChem | 50993898 |
| NPASS | NPC319861 |
| ChEMBL | CHEMBL1668790 |
| LOTUS | LTS0094472 |
| wikiData | Q27138513 |