1-[(6R,7S,10S,11R,14R,15R,20S)-6,10,15,19-tetramethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl]ethanone
| Internal ID | 2dfe7ab3-66bb-4f43-b51d-7e0b792d37ae |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 1-[(6R,7S,10S,11R,14R,15R,20S)-6,10,15,19-tetramethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl]ethanone |
| SMILES (Canonical) | CC(=O)C1CCC2(C1(CC=C3C2CCC4C(=C3)CCC5C4(COCN5C)C)C)C |
| SMILES (Isomeric) | CC(=O)[C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4C(=C3)CC[C@H]5[C@@]4(COCN5C)C)C)C |
| InChI | InChI=1S/C26H39NO2/c1-17(28)20-11-13-26(4)22-8-7-21-18(14-19(22)10-12-25(20,26)3)6-9-23-24(21,2)15-29-16-27(23)5/h10,14,20-23H,6-9,11-13,15-16H2,1-5H3/t20-,21-,22-,23+,24-,25-,26+/m1/s1 |
| InChI Key | DCONXLQPDFRUCW-ZETSUINRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H39NO2 |
| Molecular Weight | 397.60 g/mol |
| Exact Mass | 397.298079487 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 1-[(6R,7S,10S,11R,14R,15R,20S)-6,10,15,19-tetramethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/34987340-8565-11ee-90ce-f73d9d697715.jpg "2D Structure of 1-[(6R,7S,10S,11R,14R,15R,20S)-6,10,15,19-tetramethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-dien-7-yl]ethanone")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.26% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.82% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.13% | 100.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.80% | 81.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.49% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 85.92% | 97.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.59% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.17% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.51% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.25% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.21% | 92.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.86% | 89.05% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.18% | 91.07% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.14% | 85.11% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 81.11% | 95.52% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.78% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.45% | 90.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.28% | 94.33% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.27% | 94.78% |
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.
| Buxus balearica |
| Buxus sempervirens |
| PubChem | 163189600 |
| LOTUS | LTS0098531 |
| wikiData | Q104975746 |