Herbicidin C
| Internal ID | 4216dbeb-5865-4ed5-a317-3b9a349574e6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines |
| IUPAC Name | methyl (1R,3S,4S,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H21N5O9/c1-28-16(26)11-8(23)12(25)17(27)6(30-11)2-5-10(31-17)9(24)15(29-5)22-4-21-7-13(18)19-3-20-14(7)22/h3-6,8-12,15,23-25,27H,2H2,1H3,(H2,18,19,20)/t5-,6-,8-,9+,10-,11+,12+,15-,17+/m1/s1 |
| InChI Key | OEWSVQOLWMAJBV-ADWYMRBVSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H21N5O9 |
| Molecular Weight | 439.40 g/mol |
| Exact Mass | 439.13392726 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | -2.80 |
| There are no found synonyms. |
| 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 | 98.97% | 96.09% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 95.76% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.86% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.80% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.70% | 94.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 91.41% | 97.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.80% | 94.45% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 90.11% | 95.48% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.66% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.64% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.29% | 97.09% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 86.57% | 80.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.54% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.84% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.65% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.48% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.42% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.76% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.61% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.00% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.74% | 98.75% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.11% | 94.42% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.00% | 100.00% |
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 | 139589127 |
| LOTUS | LTS0123213 |
| wikiData | Q105190613 |