Periplogenin 3-[O-|A-glucopyranosyl-(1 inverted exclamation marku4)-|A-sarmentopyranoside]
| Internal ID | b35d5ba6-cbfe-416c-8450-6b3d5a4eb3f6 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Cardenolides and derivatives > Cardenolide glycosides and derivatives |
| IUPAC Name | 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| SMILES (Canonical) | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)OC)OC7C(C(C(C(O7)CO)O)O)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChI | InChI=1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31+,32+,33-,34-,35+,36+/m1/s1 |
| InChI Key | KWBPKUMWVXUSCA-LGEKFDLWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H56O13 |
| Molecular Weight | 696.80 g/mol |
| Exact Mass | 696.37209184 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -0.40 |
| Periplogenin 3-[O-|A-glucopyranosyl-(1 inverted exclamation marku4)-|A-sarmentopyranoside] |
| 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| Periplogenin 3-[O-beta-glucopyranosyl-(1->4)-beta-sarmentopyranoside] |
| HY-N5053 |
| AKOS037515237 |
| Periplogenin 3-[O-beta-glucopyranosyl-(1-->4)-beta-sarmentopyranoside] |
| FS-7192 |
| PD127160 |
| CS-0032201 |
| Periplogenin 3-[o-beta-glucopyranosyl-(14)-beta-sarmentopyranoside] |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of Periplogenin 3-[O-|A-glucopyranosyl-(1 inverted exclamation marku4)-|A-sarmentopyranoside]](https://plantaedb.com/storage/docs/compounds/2023/11/periplogenin-3-o-a-glucopyranosyl-1-inverted-exclamation-marku4-a-sarmentopyranoside.jpg "2D Structure of Periplogenin 3-[O-|A-glucopyranosyl-(1 inverted exclamation marku4)-|A-sarmentopyranoside]")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.71% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.18% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.06% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.01% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.00% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.81% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.82% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.67% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.16% | 95.93% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.96% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.32% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.66% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.04% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.11% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.73% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.48% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.24% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.18% | 96.43% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.02% | 94.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.64% | 96.21% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.90% | 92.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.64% | 90.00% |
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.
| Periploca sepium |
| PubChem | 102041439 |
| LOTUS | LTS0212559 |
| wikiData | Q105146852 |