KEGG   DRUG: Retinol acetate
Entry
D01621                      Drug                                   
Name
Retinol acetate (JP18)
Formula
C22H32O2
Exact mass
328.2402
Mol weight
328.4883
Structure
Simcomp
Class
Vitamin and mineral
 DG01604  Retinol derivative
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
Remark
Same as: C13081
ATC code: A11CA01 D10AD02 R01AX02 S01XA02
Chemical structure group: DG00123
Product (DG00123): D06543<JP> D00164<JP/US>
Efficacy
Anti-acne, Supplement (vitamin A), Retinoic acid receptor (RAR) agonist
Target
NR1B (RAR) [HSA:5914 5915 5916] [KO:K08527 K08528 K08529]
Metabolism
Enzyme: CYP2C8 [HSA:1558]
Interaction
Structure map
map07223  Retinoic acid receptor (RAR) and retinoid X receptor (RXR) agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11C VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
    A11CA Vitamin A, plain
     A11CA01 Retinol (vit A)
      D01621  Retinol acetate (JP18)
 D DERMATOLOGICALS
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AD Retinoids for topical use in acne
     D10AD02 Retinol
      D01621  Retinol acetate (JP18)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AX Other nasal preparations
     R01AX02 Retinol
      D01621  Retinol acetate (JP18)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA02 Retinol
      D01621  Retinol acetate (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Retinol acetate
    D01621  Retinol acetate (JP18)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Retinol acetate
    D01621  Retinol acetate (JP18)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Retinol acetate
    D01621  Retinol acetate (JP18)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01604  Retinol derivative
   DG00123  Retinol (vit A)
    D01621  Retinol acetate
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG00123  Retinol (vit A)
    D01621  Retinol acetate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B (RAR)
     D01621  Retinol acetate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01621  Retinol acetate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01621
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01604  Retinol derivative
   DG00123  Retinol (vit A)
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG00123  Retinol (vit A)
Other DBs
CAS: 127-47-9
PubChem: 7848684
ChEBI: 32095
LigandBox: D01621
NIKKAJI: J34.628D
KCF data

ATOM        24
            1   C1x C    24.8655  -17.1513
            2   C1x C    24.8655  -18.5602
            3   C1x C    26.0856  -19.2646
            4   C2y C    27.3057  -18.5602
            5   C2y C    27.3057  -17.1513
            6   C1z C    26.0856  -16.4469
            7   C1a C    28.5258  -19.2646
            8   C2b C    29.7459  -17.1513
            9   C2b C    28.5258  -16.4469
            10  C2c C    30.9511  -16.4554
            11  C2b C    32.1469  -17.1458
            12  C2b C    33.3453  -16.4538
            13  C1a C    30.9512  -15.0384
            14  C2b C    34.5424  -17.1450
            15  C2c C    35.7400  -16.4534
            16  C2b C    36.9377  -17.1448
            17  C1b C    38.1351  -16.4532
            18  O7a O    39.3328  -17.1448
            19  C1a C    35.7401  -15.0383
            20  C7a C    40.5484  -16.4431
            21  C1a C    41.7499  -17.1370
            22  O6a O    40.5485  -15.0501
            23  C1a C    27.0756  -15.4570
            24  C1a C    25.0957  -15.4570
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     8   9 2
            9     5   9 1
            10    8  10 1
            11   10  11 2
            12   11  12 1
            13   10  13 1
            14   12  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 1
            19   15  19 1
            20   18  20 1
            21   20  21 1
            22   20  22 2
            23    6  23 1
            24    6  24 1

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   PubChem (1)   
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