Resibufogenin 3-sulfate
| Internal ID | 451c1417-d650-4958-80ab-0d4293ddf2af |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Bufanolides and derivatives |
| IUPAC Name | [(1R,2S,4R,6R,7R,11S,14S)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H32O7S/c1-22-9-7-16(31-32(26,27)28)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)30-20)14-3-6-21(25)29-13-14/h3,6,13,15-20H,4-5,7-12H2,1-2H3,(H,26,27,28)/t15?,16-,17?,18+,19+,20+,22-,23+,24+/m0/s1 |
| InChI Key | XYKZCBBJCYCJNG-SNGHUZOHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H32O7S |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.18687453 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | 3.40 |
| Bufa-20,22-dienolide, 14,15-epoxy-3-(sulfooxy)-, (3beta,5beta,7beta)- |
| 72093-17-5 |
| 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 | 96.35% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.98% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.05% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.99% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.70% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.09% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.34% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.10% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.84% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.54% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.17% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.25% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.47% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.22% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.65% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.19% | 95.88% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.00% | 96.38% |
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.
| There are no matching plants. |
| PubChem | 133065478 |
| LOTUS | LTS0194134 |
| wikiData | Q104397593 |