Structure Database (LMSD)

Common Name
Cannabidiol
Systematic Name
2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
Synonyms
  • CBD
  • (-)-Cannabidiol
LM ID
LMPK13120005
Formula
Exact Mass
Calculate m/z
314.22458
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cannabis sativa (#3483)
Magnoliopsida (#3398)
No citation found

String Representations

InChiKey (Click to copy)
QHMBSVQNZZTUGM-ZWKOTPCHSA-N
InChi (Click to copy)
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
SMILES (Click to copy)
[C@H]1(C=C(CC[C@H]1C(=C)C)C)C1C(O)=CC(CCCCC)=CC=1O

Other Databases

CHEBI ID
PubChem CID
PDB ID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 340.62
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.85
Molar Refractivity 97.04

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Created at
1st Jul 2022
Updated at
1st Jul 2022