Brosimacutin C
| Internal ID | 53b62eea-7a04-441c-966c-81d08447fe03 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 7-hydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(C)(CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O |
| SMILES (Isomeric) | CC(C)(CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O |
| InChI | InChI=1S/C20H22O5/c1-20(2,24)10-9-15-16(22)8-7-14-17(23)11-18(25-19(14)15)12-3-5-13(21)6-4-12/h3-8,18,21-22,24H,9-11H2,1-2H3 |
| InChI Key | RFBOXBGSYTWSBN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.70 |
| CHEBI:179063 |
| LMPK12140044 |
| 7-hydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| 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 | 97.95% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.33% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.26% | 97.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.74% | 98.35% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.51% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.26% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.57% | 91.49% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.39% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.32% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.90% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.89% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.71% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.10% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.01% | 99.23% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.57% | 96.37% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.14% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
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.
| Brosimum acutifolium |
| PubChem | 10936790 |
| LOTUS | LTS0073382 |
| wikiData | Q105235272 |