Brasilamide F

Details

Top
Internal ID bd4b5855-af7b-439d-83a6-5f190c87546f
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols > Cyclohexanols
IUPAC Name (E)-3-[4-[4-hydroxy-4-(hydroxymethyl)cyclohexyl]furan-2-yl]-2-methylprop-2-enamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H21NO4/c1-10(14(16)18)6-13-7-12(8-20-13)11-2-4-15(19,9-17)5-3-11/h6-8,11,17,19H,2-5,9H2,1H3,(H2,16,18)/b10-6+
InChI Key HWRRWZCNCOHDDZ-UXBLZVDNSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H21NO4
Molecular Weight 279.33 g/mol
Exact Mass 279.14705815 g/mol
Topological Polar Surface Area (TPSA) 96.70 Ų
XlogP 0.50

Synonyms

Top
CHEMBL3581378

2D Structure

Top
2D Structure of Brasilamide F

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 98.70% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.55% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.08% 97.09%
CHEMBL233 P35372 Mu opioid receptor 88.60% 97.93%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.00% 95.56%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 86.19% 95.50%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.87% 94.45%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.70% 100.00%
CHEMBL2581 P07339 Cathepsin D 84.35% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.29% 86.33%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 83.71% 96.21%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 83.21% 93.00%
CHEMBL4208 P20618 Proteasome component C5 83.15% 90.00%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 82.97% 90.24%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.65% 89.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.67% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.26% 92.94%

Plants that contains it

Top
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.
There are no matching plants.

Cross-Links

Top
PubChem 122178807
LOTUS LTS0081865
wikiData Q75068520