Isopauridianthoside
| Internal ID | 26a85285-9474-4198-a37f-288f4aa4af9b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | methyl (2R,3R,4S)-3-ethenyl-4-(9H-pyrido[3,4-b]indole-1-carbonyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate |
| SMILES (Canonical) | COC(=O)C1=COC(C(C1C(=O)C2=NC=CC3=C2NC4=CC=CC=C34)C=C)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | COC(=O)C1=CO[C@@H]([C@@H]([C@@H]1C(=O)C2=NC=CC3=C2NC4=CC=CC=C34)C=C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChI | InChI=1S/C27H28N2O10/c1-3-12-18(22(32)20-19-14(8-9-28-20)13-6-4-5-7-16(13)29-19)15(25(35)36-2)11-37-26(12)39-27-24(34)23(33)21(31)17(10-30)38-27/h3-9,11-12,17-18,21,23-24,26-27,29-31,33-34H,1,10H2,2H3/t12-,17-,18+,21-,23+,24-,26-,27+/m1/s1 |
| InChI Key | AJDXZVKKPZRUNN-XVTOEGNZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H28N2O10 |
| Molecular Weight | 540.50 g/mol |
| Exact Mass | 540.17439509 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | 0.90 |
| 88644-38-6 |
| DTXSID60237214 |
| 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 | 99.05% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.60% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.13% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.21% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.59% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.05% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.67% | 86.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.46% | 99.23% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.26% | 95.83% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.19% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.00% | 94.80% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.87% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.54% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.51% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.35% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.01% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.75% | 99.17% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 82.42% | 96.47% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 82.36% | 88.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.25% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.59% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.51% | 92.97% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.65% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.36% | 83.82% |
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.
| Pauridiantha paucinervis |
| PubChem | 177191 |
| LOTUS | LTS0193528 |
| wikiData | Q83119313 |