LIPID MAPS

Structure Database (LMSD)

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Common Name

Cannabigerol

Systematic Name

2-((2E)-3,7-Dimethylocta-2,6-dienyl)-5-pentylbenzene-1,3-diol

Synonyms

LM ID

LMPK13120008

Formula

C₂₁H₃₂O₂

Exact Mass

Calculate m/z

316.240231

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Cannabis sativa (#3483)

Magnoliopsida (#3398)

Hashish. IV. The isolation and structure of cannabinolic cannabidiolic and cannabigerolic acids.,
Tetrahedron, 1965

Pubmed ID: 5879350

DOI: 10.1016/0040-4020(65)80064-3

String Representations

InChiKey (Click to copy)

QXACEHWTBCFNSA-SFQUDFHCSA-N

InChi (Click to copy)

InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+

SMILES (Click to copy)

C(/C=C(\C)/CC/C=C(\C)/C)C1C(O)=CC(CCCCC)=CC=1O

Other Databases

Wikipedia

Cannabigerol

CHEBI ID

69477

PubChem CID

5315659

Cayman ID

15293

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings 1

Rotatable Bonds 9

Van der Waals Molecular Volume 352.98

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 6.07

Molar Refractivity 99.13

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Created at

29th Sep 2025

Updated at