D1L

2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID

Created:	2004-03-02
Last modified:	2011-06-04

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1 entries where D1L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	12

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Chemical Component Summary
Name	2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)	(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
Formula	C₁₅ H₁₂ Cl₂ O₄
Molecular Weight	327.159
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc2cc(Cl)ccc2Oc1ccc(OC(C(=O)O)C)cc1
SMILES	CACTVS	3.341	C[CH](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl
Canonical SMILES	CACTVS	3.341	C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl
InChI	InChI	1.03	InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1
InChIKey	InChI	1.03	OOLBCHYXZDXLDS-SECBINFHSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB03781
Name	2-[4-(2,4-Dichlorophenoxy)Phenoxy]Propanoic Acid
Groups	experimental
Synonyms	2-[4-(2,4-Dichlorophenoxy)Phenoxy]Propanoic Acid

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Acetyl-CoA carboxylase 2	MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682