2,4-Dichlorophenoxyacetic acid

Details

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Internal ID b2d57038-b96b-4c3e-b9bf-f80d001bbf03
Taxonomy Benzenoids > Benzene and substituted derivatives > Phenoxyacetic acid derivatives > Chlorophenoxyacetates
IUPAC Name 2-(2,4-dichlorophenoxy)acetic acid
SMILES (Canonical) C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
SMILES (Isomeric) C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
InChI InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key OVSKIKFHRZPJSS-UHFFFAOYSA-N
Popularity 22,843 references in papers

Physical and Chemical Properties

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Molecular Formula C8H6Cl2O3
Molecular Weight 221.03 g/mol
Exact Mass 219.9693994 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 2.80

Synonyms

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94-75-7
2-(2,4-dichlorophenoxy)acetic acid
2,4-D
(2,4-Dichlorophenoxy)acetic acid
2,4-D acid
Agrotect
Chloroxone
Fernesta
Fernimine
Netagrone
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,4-Dichlorophenoxyacetic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL1075138 Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 3548.1 nM
Potency
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 94.25% 96.95%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 94.05% 86.92%
CHEMBL4208 P20618 Proteasome component C5 91.32% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.52% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.03% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 89.79% 94.73%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 89.28% 97.21%
CHEMBL2581 P07339 Cathepsin D 88.17% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.16% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.84% 86.33%
CHEMBL3202 P48147 Prolyl endopeptidase 86.51% 90.65%
CHEMBL3194 P02766 Transthyretin 85.36% 90.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.77% 96.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.50% 94.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 82.52% 89.62%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 81.69% 95.78%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.05% 90.24%

Plants that contains it

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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.
Carapichea ipecacuanha
Lagerstroemia indica

Cross-Links

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PubChem 1486
NPASS NPC204617
ChEMBL CHEMBL367623
LOTUS LTS0105006
wikiData Q209222