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
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.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.