Buxaminol E
| Internal ID | 1edc2d26-9f2b-4df5-a513-5938412d5c82 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Buxus alkaloids |
| IUPAC Name | (6S,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-aminoethyl]-6-(dimethylamino)-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-14-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H44N2O/c1-16(27)23-21(29)15-26(5)20-10-9-19-17(14-18(20)12-13-25(23,26)4)8-11-22(28(6)7)24(19,2)3/h12,14,16,19-23,29H,8-11,13,15,27H2,1-7H3/t16-,19+,20+,21+,22-,23-,25+,26-/m0/s1 |
| InChI Key | AJPLABZESIJHMG-OTKPAKDNSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C26H44N2O |
| Molecular Weight | 400.60 g/mol |
| Exact Mass | 400.345364031 g/mol |
| Topological Polar Surface Area (TPSA) | 49.50 Ų |
| XlogP | 4.80 |
| 14155-76-1 |
| DTXSID20931120 |
| (6S,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-aminoethyl]-6-(dimethylamino)-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-14-ol |
| 20-Amino-3-(dimethylamino)-4,4,14-trimethyl-9,19-cyclo-9,10-secopregna-9(11),10-dien-16-ol |
| B(9a)-Homo-19-norpregna-9(11),9a-dien-16-ol, 20-amino-3-(dimethylamino)-4,4,14-trimethyl-, (3beta,5alpha,16alpha,20S)- |
| 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 | 98.64% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.82% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.64% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.45% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.94% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.94% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.21% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.91% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.59% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.76% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.99% | 96.43% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.67% | 97.25% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 83.22% | 98.44% |
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 sempervirens |
| PubChem | 167012 |
| LOTUS | LTS0098668 |
| wikiData | Q82906655 |