Notoginsenoside N
| Internal ID | 44ccbe22-41e5-4905-b4d5-3f3c7fa9d5e8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2-[6-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C |
| SMILES (Isomeric) | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C |
| InChI | InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-37(60)34(57)32(55)26(19-50)64-43)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-41-38(61)35(58)39(27(20-51)65-41)66-42-36(59)33(56)31(54)25(18-49)63-42/h10,22-43,49-61H,9,11-20H2,1-8H3 |
| InChI Key | XYDGLABNHGXTRN-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C48H82O19 |
| Molecular Weight | 963.20 g/mol |
| Exact Mass | 962.54503038 g/mol |
| Topological Polar Surface Area (TPSA) | 318.00 Ų |
| XlogP | 0.50 |
| CHEBI:143055 |
| 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 | 98.46% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.33% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.65% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.81% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.33% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.45% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.32% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.42% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.25% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.63% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.06% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.74% | 92.94% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 86.54% | 99.43% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.69% | 95.38% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.45% | 97.36% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.23% | 97.14% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.98% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.81% | 96.90% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.59% | 95.58% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.42% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.24% | 97.79% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.32% | 100.00% |
| CHEMBL4105786 | P41182 | B-cell lymphoma 6 protein | 80.10% | 92.86% |
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 notoginseng |
| PubChem | 85238297 |
| LOTUS | LTS0075179 |
| wikiData | Q105344437 |