Bersaldegenin 3-acetate
Internal ID | 671ab7dc-3497-41f1-b190-666aebee4cf4 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Bufanolides and derivatives |
IUPAC Name | [10-formyl-1,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
SMILES (Canonical) | CC(=O)OC1CC(C2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=COC(=O)C=C5)C)C=O)O |
SMILES (Isomeric) | CC(=O)OC1CC(C2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=COC(=O)C=C5)C)C=O)O |
InChI | InChI=1S/C26H34O8/c1-15(28)34-17-11-21(29)25(14-27)19-5-8-23(2)18(16-3-4-22(30)33-13-16)7-10-26(23,32)20(19)6-9-24(25,31)12-17/h3-4,13-14,17-21,29,31-32H,5-12H2,1-2H3 |
InChI Key | BSHOWDODIUWLNU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H34O8 |
Molecular Weight | 474.50 g/mol |
Exact Mass | 474.22536804 g/mol |
Topological Polar Surface Area (TPSA) | 130.00 Ų |
XlogP | 1.30 |
BERSALDEGENIN 3-ACETATE |
3-(acetyloxy)-1,5,14-trihydroxy-19-oxobufa-20,22-dienolide |
NSC135076 |
DTXSID20945727 |
NSC-135076 |
![2D Structure of Bersaldegenin 3-acetate 2D Structure of Bersaldegenin 3-acetate](https://plantaedb.com/storage/docs/compounds/2023/11/bersaldegenin-3-acetate-8572973eb11e5f368c9090bebba0b6c0.jpg)
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.37% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.43% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.93% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.97% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.48% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.38% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.40% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.22% | 95.89% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.08% | 82.69% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.09% | 91.19% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.86% | 94.62% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.29% | 99.23% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.38% | 93.04% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 82.84% | 89.44% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.81% | 90.00% |
CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 82.00% | 88.42% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.20% | 97.28% |
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.
Kalanchoe daigremontiana |
Kalanchoe pinnata |
PubChem | 282020 |
LOTUS | LTS0155687 |
wikiData | Q82923158 |