Cardinalin 10
| Internal ID | 136ce0fe-a685-4b6d-b0f5-607fe6c6a4f6 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (1R,3S,4aS,10aR)-8-[(1R,3S,4aR,5R,10aS)-5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1,3,4,4a,5,10a-hexahydrobenzo[g]isochromen-8-yl]-4a,9-dihydroxy-7-methoxy-1,3-dimethyl-1,3,4,10a-tetrahydrobenzo[g]isochromene-5,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H36O11/c1-11-7-15-20(13(3)42-11)27(34)21-16(26(15)33)8-18(40-5)23(28(21)35)24-19(41-6)9-17-22(29(24)36)30(37)25-14(4)43-12(2)10-32(25,39)31(17)38/h8-9,11-15,20,25-26,33,35-36,39H,7,10H2,1-6H3/t11-,12-,13+,14+,15+,20+,25-,26+,32-/m0/s1 |
| InChI Key | XFMGBDVJSDWJNE-IMAKITBISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H36O11 |
| Molecular Weight | 596.60 g/mol |
| Exact Mass | 596.22576196 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 3.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.22% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.54% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.91% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.85% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.08% | 98.95% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 90.19% | 94.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.16% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.59% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.70% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.44% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.42% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.49% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.42% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.29% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.23% | 95.93% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.96% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.26% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.22% | 82.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.81% | 91.19% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.00% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.83% | 90.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.30% | 89.50% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.01% | 96.09% |
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 | 139587451 |
| LOTUS | LTS0147114 |
| wikiData | Q77566374 |