2-[2-[[3,12-dihydroxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
| Internal ID | 6a3e620c-cfe5-46bd-b9ee-9ebe11183075 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
| IUPAC Name | 2-[2-[[3,12-dihydroxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(CO7)O)O)O)C)O)C |
| SMILES (Isomeric) | CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(CO7)O)O)O)C)O)C |
| InChI | InChI=1S/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3 |
| InChI Key | UGMDQWNVJMIQKD-UHFFFAOYSA-N |
| Popularity | 21 references in papers |
| Molecular Formula | C41H70O14 |
| Molecular Weight | 787.00 g/mol |
| Exact Mass | 786.47655690 g/mol |
| Topological Polar Surface Area (TPSA) | 228.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 2-[2-[[3,12-dihydroxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/6271fa20-8585-11ee-a846-117774d82378.jpg "2D Structure of 2-[2-[[3,12-dihydroxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 97.37% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.32% | 97.25% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 96.22% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.95% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.34% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.55% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.27% | 95.93% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.90% | 96.77% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.90% | 95.58% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 93.29% | 92.98% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 92.90% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.33% | 96.21% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.42% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.15% | 97.79% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.75% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.49% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 89.22% | 95.38% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 88.56% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.02% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.79% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.72% | 89.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.61% | 86.33% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 85.62% | 97.86% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.82% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.16% | 92.94% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.92% | 99.43% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.25% | 96.90% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 82.82% | 94.01% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.78% | 99.17% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.44% | 90.24% |
| CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 81.68% | 96.67% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.43% | 97.28% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 81.42% | 95.42% |
| CHEMBL4105786 | P41182 | B-cell lymphoma 6 protein | 81.27% | 92.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.21% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.91% | 92.88% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.89% | 97.36% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.67% | 97.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.30% | 86.92% |
| CHEMBL204 | P00734 | Thrombin | 80.29% | 96.01% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.13% | 92.78% |
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 japonicus |
| Panax pseudoginseng |
| Panax vietnamensis |
| PubChem | 73157192 |
| LOTUS | LTS0142056 |
| wikiData | Q104402766 |