1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone

Details

Top
Internal ID 4bc7143a-a28b-4892-b0b2-d817bd0f0a05
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
IUPAC Name 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H16Cl2O4/c1-3-4-5-6-7(16)8-11(17)9(14)13(19-2)10(15)12(8)18/h17-18H,3-6H2,1-2H3
InChI Key VUDQSRFCCHQIIU-UHFFFAOYSA-N
Popularity 152 references in papers

Physical and Chemical Properties

Top
Molecular Formula C13H16Cl2O4
Molecular Weight 307.17 g/mol
Exact Mass 306.0425644 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 4.60

Synonyms

Top
DIF-1
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
Dif-1 (dictyostelium)
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one
Morphogen differentiation inducing factor (dictyostelium)
CHEBI:64598
Differentiation-inducing factor 1
differentiation-inducing factor-1
Dictyostelium
C13H16Cl2O4
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone

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 95.83% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.90% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.53% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.43% 94.45%
CHEMBL2581 P07339 Cathepsin D 90.80% 98.95%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 87.56% 95.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.46% 97.25%
CHEMBL3401 O75469 Pregnane X receptor 85.81% 94.73%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.49% 96.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 82.28% 97.29%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 82.18% 91.81%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.10% 96.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.62% 86.33%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.40% 93.56%

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 123886
LOTUS LTS0212043
wikiData Q27133348