KEGG COMPOUND: C06866

COMPOUND: C06866

Entry

C06866 Compound

Name

Capsaicin

Formula

C18H27NO3

Exact mass

305.1991

Mol weight

305.4119

Structure

Remark

Same as:

D00250

Reaction

R09091

Pathway

map00360

Phenylalanine metabolism

map01060

Biosynthesis of plant secondary metabolites

map01063

Biosynthesis of alkaloids derived from shikimate pathway

map01100

Metabolic pathways

map01110

Biosynthesis of secondary metabolites

map04750

Inflammatory mediator regulation of TRP channels

Module

M00350

Capsaicin biosynthesis, L-Phenylalanine => Capsaicin

Brite

Phytochemical compounds [BR:br08003]
Amino acid related compounds
  Others
   Capsaicinoids and derivatives
    C06866  Capsaicin
Target-based classification of compounds [BR:br08010]
Ion channels
  Related to voltage-gated cation channels
   Transient receptor potential family, TRPV (Vanilloid)
    transient receptor potential cation channel, subfamily V, member 1
     C06866  Capsaicin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AB Capsaicin and similar agents
     M02AB01 Capsaicin
      D00250  Capsaicin (JAN/USP) <US>
N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BX Other local anesthetics
     N01BX04 Capsaicin
      D00250  Capsaicin (JAN/USP) <US>
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
  Inorganic and organic chemicals
   Capsaicin
    D00250  Capsaicin (JAN/USP)
Target-based classification of drugs [BR:br08310]
Ion channels
  Voltage-gated ion channels
   Transient receptor potential channels
    TRPV1
     D00250  Capsaicin (JAN/USP)
New drug approvals in the USA [br08319.html]
New Molecular Entity and New Therapeutic Biological Product Approvals
  D00250
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
  D00250
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
  D00250
Major components of natural products [BR:br08323]
Crude drugs
  Capsicum
   C06866  Capsaicin
  Capsicum tincture
   C06866  Capsaicin
Medicinal herbs
  Cayenne papper
   C06866  Capsaicin

Other DBs

CAS:

404-86-4

PubChem:

9083

ChEBI:

3374

ChEMBL:

CHEMBL294199

PDB-CCD:

4DY[PDBj]

NIKKAJI:

J1.529F

KCF data

ATOM        22
            1   C8y C    14.3789  -14.5250
            2   C8x C    13.1676  -15.2238
            3   C8x C    14.3789  -13.1272
            4   C1b C    15.5904  -15.2238
            5   C8y C    11.9504  -14.5250
            6   C8x C    13.1676  -12.4226
            7   N1b N    16.8017  -14.5250
            8   C8y C    11.9504  -13.1272
            9   O2a O    10.7391  -15.2238
            10  C5a C    18.0189  -15.2179
            11  O1a O    10.7391  -12.4226
            12  C1a C     9.5219  -14.5307
            13  C1b C    19.2244  -14.5250
            14  O5a O    18.0189  -16.6216
            15  C1b C    20.4357  -15.2179
            16  C1b C    21.6529  -14.5190
            17  C1b C    22.8644  -15.2179
            18  C2b C    24.0816  -14.5190
            19  C2b C    25.2929  -15.2179
            20  C1c C    26.5042  -14.5190
            21  C1a C    27.7214  -15.2122
            22  C1a C    26.5042  -13.1156
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 2
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22    6   8 1

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