Panaxadione
| Internal ID | 77443b3a-599f-4f04-9ee0-3ab32e360636 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
| IUPAC Name | (5R,6S,8R,9R,10R,13R,14R,17S)-6-hydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,12-dione |
| SMILES (Canonical) | CC1(C2C(CC3(C(C2(CCC1=O)C)CC(=O)C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)O)C |
| SMILES (Isomeric) | C[C@]1(CC[C@@H](O1)C(C)(C)O)[C@H]2CC[C@@]3([C@@H]2C(=O)C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CCC(=O)C5(C)C)C)O)C)C |
| InChI | InChI=1S/C30H48O5/c1-25(2)21(33)10-12-27(5)20-15-18(31)23-17(30(8)14-11-22(35-30)26(3,4)34)9-13-28(23,6)29(20,7)16-19(32)24(25)27/h17,19-20,22-24,32,34H,9-16H2,1-8H3/t17-,19-,20+,22+,23-,24-,27+,28+,29+,30-/m0/s1 |
| InChI Key | FCAJXFJDFFPHME-KDZRHTKCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H48O5 |
| Molecular Weight | 488.70 g/mol |
| Exact Mass | 488.35017463 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.00 |
| (5R,6S,8R,9R,10R,13R,14R,17S)-6-hydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,12-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 95.66% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.06% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.38% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.49% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.88% | 85.30% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.04% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.96% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.29% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.22% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.97% | 96.43% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.67% | 97.33% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.38% | 95.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.97% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.33% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.88% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.62% | 85.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.56% | 97.05% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.81% | 92.98% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.63% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.12% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.66% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.56% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.48% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.42% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.58% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.14% | 94.75% |
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.
| Panax ginseng |
| PubChem | 25233029 |
| LOTUS | LTS0104869 |
| wikiData | Q104993035 |