Mycemycin E

Details

Top
Internal ID f3fb70d9-e02a-4510-8270-9cc9ba49984a
Taxonomy Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers
IUPAC Name 2,8-dichloro-1-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-4-carboxamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H10Cl2N2O3/c1-6-10(17)5-9(14(18)20)12-13(6)22-11-3-2-7(16)4-8(11)15(21)19-12/h2-5H,1H3,(H2,18,20)(H,19,21)
InChI Key LKTXNDBBKSMZRJ-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H10Cl2N2O3
Molecular Weight 337.20 g/mol
Exact Mass 336.0068476 g/mol
Topological Polar Surface Area (TPSA) 81.40 Ų
XlogP 2.90

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Mycemycin E

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.20% 94.45%
CHEMBL240 Q12809 HERG 93.89% 89.76%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 91.79% 96.95%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 91.46% 94.80%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.45% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.39% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.28% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 91.10% 94.73%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 89.71% 92.29%
CHEMBL4208 P20618 Proteasome component C5 89.47% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.45% 86.33%
CHEMBL4530 P00488 Coagulation factor XIII 87.95% 96.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 87.75% 97.21%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 86.95% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.19% 96.09%
CHEMBL340 P08684 Cytochrome P450 3A4 85.17% 91.19%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 84.74% 86.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 84.33% 90.24%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 83.87% 81.11%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 83.54% 94.42%
CHEMBL2346486 P40261 Nicotinamide N-methyltransferase 81.19% 83.04%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 80.57% 95.48%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 80.25% 85.00%

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 139585143
LOTUS LTS0069432
wikiData Q77384742