Structure Database (LMSD)

Common Name
Cannabidiol
Systematic Name
Synonyms
LM ID
LMPK13120001
Status
Active
Exact Mass
Calculate m/z
314.22458
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
QHMBSVQNZZTUGM-ZENAZSQFSA-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)
C1(C=C(CC[C@H]1C(=C)C)C)C1C(O)=CC(CCCCC)=CC=1O

References

Reference
Hashish. I. The structure of cannabidiol.
Tetrahedron, 1963
DOI: 10.1016/0040-4020(63)85022-x
PMID: 5879214

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cannabis sativa (#3483)
Magnoliopsida (#3398)
Hashish. I. The structure of cannabidiol.,
Tetrahedron, 1963
Pubmed ID: 5879214

Other Databases

Wikipedia
KEGG ID
PubChem CID

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
-
Updated at
31st Mar 2021