Caerulomycin F

Details

Top
Internal ID 22c2f92c-ec38-485b-852d-9d64f9598270
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Bipyridines and oligopyridines
IUPAC Name (4-methoxy-6-pyridin-2-ylpyridin-2-yl)methanol
SMILES (Canonical) COC1=CC(=NC(=C1)C2=CC=CC=N2)CO
SMILES (Isomeric) COC1=CC(=NC(=C1)C2=CC=CC=N2)CO
InChI InChI=1S/C12H12N2O2/c1-16-10-6-9(8-15)14-12(7-10)11-4-2-3-5-13-11/h2-7,15H,8H2,1H3
InChI Key PELLYAWYWQZSJV-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C12H12N2O2
Molecular Weight 216.24 g/mol
Exact Mass 216.089877630 g/mol
Topological Polar Surface Area (TPSA) 55.20 Ų
XlogP 0.60

Synonyms

Top
CHEBI:69225
(4-methoxy-2,2'-bipyridin-6-yl)methanol
(4-methoxy-6-pyridin-2-ylpyridin-2-yl)methanol
RefChem:122624
CHEMBL1823031
SCHEMBL29884857
Q27137564

2D Structure

Top
2D Structure of Caerulomycin 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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.55% 96.09%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 94.37% 93.10%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.86% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.43% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.36% 94.00%
CHEMBL4208 P20618 Proteasome component C5 89.77% 90.00%
CHEMBL2243 O00519 Anandamide amidohydrolase 89.27% 97.53%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.84% 85.14%
CHEMBL3401 O75469 Pregnane X receptor 86.39% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.28% 99.17%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 85.74% 89.44%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.84% 95.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.68% 96.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 83.33% 96.67%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 83.14% 100.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.03% 99.15%
CHEMBL2885 P07451 Carbonic anhydrase III 81.69% 87.45%
CHEMBL2535 P11166 Glucose transporter 81.38% 98.75%
CHEMBL3524 P56524 Histone deacetylase 4 80.87% 92.97%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 80.81% 100.00%
CHEMBL2581 P07339 Cathepsin D 80.36% 98.95%

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 25192237
LOTUS LTS0221512
wikiData Q103819089