Madindoline A
| Internal ID | 250cb036-3e74-4cac-af3a-319bd3ad5747 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | 2-[(8b-hydroxy-2,3a-dihydro-1H-furo[2,3-b]indol-4-yl)methyl]-4-butyl-2,5-dimethylcyclopent-4-ene-1,3-dione |
| SMILES (Canonical) | CCCCC1=C(C(=O)C(C1=O)(C)CN2C3C(CCO3)(C4=CC=CC=C42)O)C |
| SMILES (Isomeric) | CCCCC1=C(C(=O)C(C1=O)(C)CN2C3C(CCO3)(C4=CC=CC=C42)O)C |
| InChI | InChI=1S/C22H27NO4/c1-4-5-8-15-14(2)18(24)21(3,19(15)25)13-23-17-10-7-6-9-16(17)22(26)11-12-27-20(22)23/h6-7,9-10,20,26H,4-5,8,11-13H2,1-3H3 |
| InChI Key | XPVQXXLKOCZMGG-UHFFFAOYSA-N |
| Popularity | 11 references in papers |
| Molecular Formula | C22H27NO4 |
| Molecular Weight | 369.50 g/mol |
| Exact Mass | 369.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.30 |
| 184877-64-3 |
| 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 | 97.85% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 96.63% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.70% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.06% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.94% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.01% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.08% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.69% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.52% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.78% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.28% | 96.25% |
| CHEMBL5028 | O14672 | ADAM10 | 81.21% | 97.50% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.96% | 85.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.16% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.14% | 82.38% |
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 | 9799462 |
| LOTUS | LTS0091134 |
| wikiData | Q104201228 |