Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E00ARE)
DIG Name
Dodecyl gallate
Synonyms    Click to Show/Hide the Synonyms of This DIG
Dodecyl gallate; Lauryl gallate; 1166-52-5; Dodecyl 3,4,5-trihydroxybenzoate; Nipagallin LA; Progallin LA; Gallic acid, dodecyl ester; Gallic acid, lauryl ester; BENZOIC ACID, 3,4,5-TRIHYDROXY-, DODECYL ESTER; n-Dodecyl gallate; n-dodecylgallate; Gallic Acid Dodecyl Ester; Lauryl 3,4,5-trihydroxybenzoate; Dodecylester kyseliny gallove; Gallic acid n-dodecyl ester; NSC 133463; GALLIC ACID LAURYL ESTER; UNII-45612DY463; MFCD00002195; E312; CHEMBL16121; Lauryl Gallate(Dodecyl Gallate); 3,4,5-Trihydroxybenzoic acid, dodecyl ester; Gallic acid, dodecyl ester (8CI); NSC133463; 45612DY463; DSSTox_CID_28164; DSSTox_RID_82725; DSSTox_GSID_48189; antioxidant E 312; antioxidant E-312; E 312 antioxidant; E-312 antioxidant; CAS-1166-52-5; CCRIS 5568; EINECS 214-620-6; Dodecylester kyseliny gallove [Czech]; BRN 2701981; dodecylgallat; Gallic acid-dodecyl ester; ACMC-1BX1I; SCHEMBL36820; Gallic acid, n-dodecyl ester; 4-10-00-02006 (Beilstein Handbook Reference); BIDD:ER0314; Lauryl 3,5-trihydroxybenzoate; WLN: QR BQ CQ EVO12; DTXSID0048189; Dodecyl-3,4,5-trihydroxybenzoate; BCP15874; n-Dodecyl 3,4,5-trihydroxybenzoate; Tox21_202724; Tox21_303487; ANW-16986; BDBM50093887; s6229; ZINC33861415; AKOS001482340; dodecyl 3,4,5-tris(oxidanyl)benzoate; GS-3008; MCULE-2416501697; NSC-133463; NCGC00257297-01; NCGC00260272-01; SY048252; DB-108599; 3,4,5-Trihydroxy-benzoic acid dodecyl ester; Benzoic acid,4,5-trihydroxy-, dodecyl ester; FT-0626593; G0015; Lauryl gallate, analytical reference material; ST50826966; J10236; Lauryl gallate, antioxidant, >=99.0% (HPLC); A803659; Q418209; 3,4,5-TRIHYDROXYBENZOIC ACID DODECYL ESTER; W-108577; Dodecyl gallate, European Pharmacopoeia (EP) Reference Standard; 149030-04-6
DIG Function
Antioxidant
PubChem CID
14425
Formula
C19H30O5
Canonical SMILES
CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3
InChIKey
RPWFJAMTCNSJKK-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
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3D MOL 2D MOL
Physicochemical Properties Molecular Weight 338.4 Topological Polar Surface Area 87
XlogP 5.8 Complexity 322
Heavy Atom Count 24 Rotatable Bond Count 13
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Oxidoreductase (ORase)
            DBT Name: Squalene monooxygenase (SQLE) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 61 nM (tested by experiment) [1]
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID ERG1_RAT
References
1 Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug; 64(8):1010-4.

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