Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E00XLR)
DIG Name
Ascorbyl palmitate
Synonyms    Click to Show/Hide the Synonyms of This DIG
ASCORBYL PALMITATE; 137-66-6; L-Ascorbyl 6-palmitate; 6-O-Palmitoyl-L-ascorbic acid; L-Ascorbyl palmitate; Ascorbic palmitate; L-Ascorbic acid, 6-hexadecanoate; L-Ascorbic acid 6-palmitate; (S)-2-((R)-3,4-Dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl palmitate; UNII-QN83US2B0N; Ascorbyl monopalmitate; Ascorbyl palmitate [NF]; MFCD00005377; Ascorbic acid 6-palmitate; QN83US2B0N; Ascorboyl palmitate; Ascorbylpalmitic acid; Ascorbyl 6-palmitate; E304; Ascorbyl palmitate (NF); DSSTox_CID_21611; DSSTox_RID_79785; 6-Palmitoyl-L-ascorbic acid; DSSTox_GSID_41611; L-Ascorbyl 6-pal; Grindox 562; NSC 402451; CAS-137-66-6; 6-O-Palmitoyl ascorbate; C22H38O7; Ascorbyl palmitate (VAN); Ascorbyl 6-hexadecanoate, L-; CCRIS 3930; HSDB 418; Ascorbic acid palmitate (ester); L(+)-Ascorbyl palmitate, specified according to requirements of USP/Ph.Eur.; L-Ascorbic acid 6-hexadecanoate; [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate; 2-((2R)-3,4-dihydroxy-5-oxo(2-2-hydrofuryl))(2S)-2-hydroxyethyl hexadecanoate; NCGC00161605-01; EINECS 205-305-4; E 304; BRN 0096552; SCHEMBL15363; 5-18-05-00031 (Beilstein Handbook Reference); CHEMBL220190; DTXSID3041611; SCHEMBL17817668; CHEBI:140768; HY-B0987; Tox21_113637; Tox21_301926; BDBM50451094; s2532; SBB058267; AKOS015895292; ZINC100004322; ZINC100047718; CCG-207947; CS-4478; NCGC00255543-01; AS-12990; A0540; ST51016132; SW220267-1; D02412; M-6255; A807294; Q424521; 6-O-Palmitoyl-L-ascorbic acid, BioXtra, >=99.0% (RT); Ascorbic acid 6-palmitate, meets USP testing specifications; 6-O-Palmitoyl-L-ascorbic acid, analytical reference material; 6-O-Palmitoyl-L-ascorbic acid, Vetec(TM) reagent grade, 95%; Ascorbyl palmitate, European Pharmacopoeia (EP) Reference Standard; Ascorbyl palmitate, United States Pharmacopeia (USP) Reference Standard; 3,4-Dihydroxy-5beta-[(S)-2-(hexadecanoyloxy)-1-hydroxyethyl]furan-2(5H)-one; Ascorbyl Palmitate, Pharmaceutical Secondary Standard; Certified Reference Material; hexadecanoic acid [(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furanyl]-2-hydroxyethyl] ester; [(2S)-2-[(2R)-4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl] hexadecanoate
DIG Function
Antioxidant
PubChem CID
54680660
Formula
C22H38O7
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O
InChI
1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1
InChIKey
QAQJMLQRFWZOBN-LAUBAEHRSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=54680660"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 414.5 Topological Polar Surface Area 113
XlogP 6.3 Complexity 515
Heavy Atom Count 29 Rotatable Bond Count 18
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Acetaminophen
 API Info
Anaesthesia [ICD-11: 8E22]
 [1]
       ICD Disease Classification 14 Skin disease Click to Show/Hide
Tretinoin
 API Info
Acne vulgaris [ICD-11: ED80]
 [2]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transferase (TFase)
            DBT Name: Thiosulfate sulfurtransferase (TST) 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 = 53000 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID THTR_HUMAN
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Hsp60-Hsp10 complex (HSPD1-HSPE1) 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 = 3100 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CH60_HUMAN ; CH10_HUMAN
References
1 FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved tretinoin from the official website of the U.S. Food and Drug Administration.
3 HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules. Bioorg Med Chem Lett. 2019 May 1; 29(9):1106-1112.

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