Hydnellin A
| Internal ID | 6e3c0a33-e036-42c2-8d6e-dbbc8de48ad2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives |
| IUPAC Name | [3-[(5R,11aR)-3,11a-bis[(2S)-butan-2-yl]-4-hydroxy-2-methoxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-2-acetyloxy-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H38N2O13/c1-8-17(3)28-33(43)37(45)35(18(4)9-2,34(44)36(28)46-7)49-25-16-22(12-15-24(25)50-37)27-30(42)29(41)26(21-10-13-23(40)14-11-21)31(47-19(5)38)32(27)48-20(6)39/h10-18,40-43H,8-9H2,1-7H3/t17-,18-,35+,37+/m0/s1 |
| InChI Key | KCXPCPJNZYKYRZ-ROQOEKTBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H38N2O13 |
| Molecular Weight | 694.70 g/mol |
| Exact Mass | 694.23738927 g/mol |
| Topological Polar Surface Area (TPSA) | 200.00 Ų |
| XlogP | 5.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.66% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.97% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.23% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.82% | 85.14% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 93.91% | 92.29% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.90% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.83% | 97.21% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.78% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.42% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.78% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.40% | 94.73% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.65% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.67% | 99.17% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 90.43% | 95.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.41% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.26% | 90.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 87.33% | 92.68% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.71% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.79% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.26% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.11% | 93.10% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.50% | 95.53% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.14% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.44% | 93.56% |
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 | 11592813 |
| LOTUS | LTS0156584 |
| wikiData | Q75067198 |