Cupacinoxepin
| Internal ID | 4b931350-27e4-44a3-907a-ec4de67d5c61 |
| Taxonomy | Organoheterocyclic compounds > Lactones |
| IUPAC Name | (1R,3R,6S,11R,12R,15R,16S,22R)-1,3,6,7,7,11,16,21,21-nonamethyl-2,20-dioxapentacyclo[13.9.0.03,12.06,11.016,22]tetracosan-19-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H52O3/c1-25(2)15-10-16-28(6)23-12-11-22-27(5)17-14-24(32)33-26(3,4)21(27)13-18-29(22,7)34-30(23,8)19-20-31(25,28)9/h21-23H,10-20H2,1-9H3/t21-,22+,23+,27-,28+,29+,30+,31-/m0/s1 |
| InChI Key | ZOSNTVJOXIRCCT-ISLDYSMMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H52O3 |
| Molecular Weight | 472.70 g/mol |
| Exact Mass | 472.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 7.90 |
| RefChem:128797 |
| (1R,3R,6S,11R,12R,15R,16S,22R)-1,3,6,7,7,11,16,21,21-nonamethyl-2,20-dioxapentacyclo(13.9.0.03,12.06,11.016,22)tetracosan-19-one |
| cupacinoxepin, (rel)- |
| CHEBI:67817 |
| CHEMBL1775014 |
| Q27136293 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.59% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.10% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.38% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.86% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.08% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.21% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.33% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.69% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.39% | 94.75% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.28% | 99.29% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.95% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.98% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.65% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.31% | 93.04% |
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.
| Cupania cinerea |
| PubChem | 52951623 |
| NPASS | NPC96759 |
| ChEMBL | CHEMBL1775014 |