KEGG   COMPOUND: C07578
Entry
C07578                      Compound                               
Name
Cannabidiol;
CBD
Formula
C21H30O2
Exact mass
314.2246
Mol weight
314.4617
Structure
Remark
Same as: D10915
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00894  Cannabidiol biosynthesis, malonyl-CoA => cannabidiol/dronabinol
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1312 Other aromatic polyketides
    C07578  Cannabidiol
Phytochemical compounds [BR:br08003]
 Polyketides
  Others
   Cannabinoids
    C07578  Cannabidiol
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AX Other antiepileptics
     N03AX24 Cannabidiol
      D10915  Cannabidiol (USAN/INN) <US>
USP drug classification [BR:br08302]
 Anticonvulsants
  Anticonvulsants, Other
   Cannabidiol
    D10915  Cannabidiol (USAN/INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   D10915  Cannabidiol
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D10915  Cannabidiol
  DG02924  UGT substrate
   DG03185  UGT1A7 substrate
    D10915  Cannabidiol
   DG03188  UGT1A9 substrate
    D10915  Cannabidiol
   DG03190  UGT2B7 substrate
    D10915  Cannabidiol
 Transporter substrate
  DG01665  ABCB1 substrate
   D10915  Cannabidiol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cannabinoid
    CNR
     D10915  Cannabidiol (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10915
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10915
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10915
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10915
 Drug transporters
  D10915
Other DBs
CAS: 13956-29-1
PubChem: 9781
ChEBI: 69478
LIPIDMAPS: LMPK13120001
KNApSAcK: C00002641
PDB-CCD: P0T[PDBj]
3DMET: B05249
NIKKAJI: J10.356J
LinkDB
KCF data

ATOM        23
            1   C1y C    15.0589  -16.1834
            2   C8y C    16.2736  -16.8785
            3   C1y C    13.8499  -16.8843
            4   C2x C    15.0589  -14.7819
            5   C8y C    16.2736  -18.2804
            6   C8y C    17.4885  -16.1777
            7   C1x C    12.6351  -16.1834
            8   C2c C    13.7855  -18.2861
            9   C2y C    13.8499  -14.0750
            10  C8x C    17.4943  -18.9870
            11  O1a O    16.2679  -19.6762
            12  C8x C    18.7093  -16.8726
            13  O1a O    17.4885  -14.7702
            14  C1x C    12.6351  -14.7819
            15  C1a C    14.9244  -18.9929
            16  C2a C    12.5649  -18.9986
            17  C1a C    13.8556  -12.6733
            18  C8y C    18.7093  -18.2804
            19  C1b C    19.9241  -18.9753
            20  C1b C    21.1390  -18.2686
            21  C1b C    22.3478  -18.9636
            22  C1b C    23.5568  -18.2627
            23  C1a C    24.7718  -18.9578
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    9  14 1
            24   12  18 1

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