Pyrrolomycin F1

Details

Top
Internal ID fc740a70-1a56-4dc8-b753-fd82f77d01a6
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Aryl-phenylketones
IUPAC Name (5-bromo-2-hydroxyphenyl)-(3,4,5-tribromo-1H-pyrrol-2-yl)methanone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H5Br4NO2/c12-4-1-2-6(17)5(3-4)10(18)9-7(13)8(14)11(15)16-9/h1-3,16-17H
InChI Key LTKQHGHTROTART-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

Top
Molecular Formula C11H5Br4NO2
Molecular Weight 502.78 g/mol
Exact Mass 502.70128 g/mol
Topological Polar Surface Area (TPSA) 53.10 Ų
XlogP 5.70

Synonyms

Top
Pyrrolomycin F1
Methanone, (5-bromo-2-hydroxyphenyl)(3,4,5-tribromo-1H-pyrrol-2-yl)-
88217-19-0
(5-Bromo-2-hydroxyphenyl)(3,4,5-tribromo-1H-pyrrol-2-yl)methanone
(5-bromo-2-hydroxyphenyl)-(3,4,5-tribromo-1H-pyrrol-2-yl)methanone
CHEMBL4075973
DTXSID80236901

2D Structure

Top
2D Structure of Pyrrolomycin F1

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 96.26% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.96% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.21% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.76% 99.15%
CHEMBL2535 P11166 Glucose transporter 87.19% 98.75%
CHEMBL241 Q14432 Phosphodiesterase 3A 85.26% 92.94%
CHEMBL4208 P20618 Proteasome component C5 84.98% 90.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.87% 99.23%
CHEMBL2581 P07339 Cathepsin D 81.91% 98.95%
CHEMBL3194 P02766 Transthyretin 81.76% 90.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.99% 96.09%

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 3086276
LOTUS LTS0081078
wikiData Q83119010