22-(5-Amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1,3,26-trihydroxy-10-oxo-12-propyl-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid
| Internal ID | 190b9342-4bce-4ea3-9f34-03e1611e8a11 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | 22-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1,3,26-trihydroxy-10-oxo-12-propyl-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H51NO13/c1-3-11-22-12-9-7-5-4-6-8-10-13-23(47-34-32(41)31(40)30(36)20(2)45-34)17-27-29(33(42)43)24(38)19-35(44,49-27)18-21(37)16-26-25(48-26)14-15-28(39)46-22/h4-10,13-15,20-27,29-32,34,37-38,40-41,44H,3,11-12,16-19,36H2,1-2H3,(H,42,43) |
| InChI Key | AJJXKYBIKLKLDF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H51NO13 |
| Molecular Weight | 693.80 g/mol |
| Exact Mass | 693.33604068 g/mol |
| Topological Polar Surface Area (TPSA) | 231.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of 22-(5-Amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1,3,26-trihydroxy-10-oxo-12-propyl-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/35c8a2f0-8541-11ee-8469-716b0ed31bab.jpg "2D Structure of 22-(5-Amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1,3,26-trihydroxy-10-oxo-12-propyl-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.98% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.93% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.89% | 91.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 96.54% | 97.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.08% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.56% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.33% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.55% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.36% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.07% | 89.63% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.09% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.89% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.70% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.66% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.27% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.10% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.92% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.54% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.00% | 96.77% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.96% | 97.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.42% | 100.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.63% | 94.42% |
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.
| There are no matching plants. |
| PubChem | 162946272 |
| LOTUS | LTS0073689 |
| wikiData | Q103816171 |