25(R)-Hydroxyprotopanaxadiol
| Internal ID | 3344833f-7abf-4c30-8073-150d75bd23ad |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2,6-dihydroxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol |
| SMILES (Canonical) | CC1(C2CCC3(C(C2(CCC1O)C)CC(C4C3(CCC4C(C)(CCCC(C)(C)O)O)C)O)C)C |
| SMILES (Isomeric) | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@@](C)(CCCC(C)(C)O)O)C)O)C)(C)C)O |
| InChI | InChI=1S/C30H54O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-34H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1 |
| InChI Key | VKYVIIIEJKSVBR-XHJPDDKBSA-N |
| Popularity | 20 references in papers |
| Molecular Formula | C30H54O4 |
| Molecular Weight | 478.70 g/mol |
| Exact Mass | 478.40221020 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 5.90 |
| 83349-37-5 |
| 25-OH-PPD |
| (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2,6-dihydroxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol |
| Dammarane-3,12,20,25-tetrol, (3beta,12beta,20R)- |
| 25-Hydroxyprotopanaxadiol |
| CHEMBL1669124 |
| Dammarane-3,12,20,25-tetrol |
| DTXSID601003342 |
| AKOS040760204 |
| (20R)-Dammara-3beta,12beta,20,25-tetraol |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.73% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 96.51% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.37% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.65% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.15% | 95.93% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 89.28% | 97.64% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.19% | 95.58% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.32% | 85.31% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.09% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.42% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.58% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.49% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.15% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.18% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.96% | 95.89% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.98% | 100.00% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 81.61% | 97.63% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.18% | 96.43% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.10% | 95.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.48% | 89.05% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.11% | 96.90% |
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 | 158501 |
| NPASS | NPC66407 |
| ChEMBL | CHEMBL1669124 |