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6',7'-Epoxy cannabigerol

CAT: 0804-HY-170709-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-170709-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6',7'-Epoxy cannabigerol is a phytocannabinoid metabolite[1].
CAS Number
140381-46-0
UNSPSC
12352005
Target
Cannabinoid Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
OC(C=C(C=C1O)CCCCC)=C1C/C=C(C)/CCC2C(C)(O2)C
Molecular Formula
C21H32O3
Molecular Weight
332.48
References & Citations
[1]Roy P, et al. Metabolites of Cannabigerol Generated by Human Cytochrome P450s Are Bioactive. Biochemistry. 2022 Nov 1;61 (21) :2398-2408.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6',7'-epoxy Cannabigerol
CAS Number140381-46-0
PubChem CID168310608
IUPAC Name2-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-5-pentylbenzene-1,3-diol
Molecular FormulaC21H32O3
Molecular Weight332.5
XLogP6.1
Topological Polar Surface Area53
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity403
SMILES
CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC2C(O2)(C)C)O
InChI
InChI=1S/C21H32O3/c1-5-6-7-8-16-13-18(22)17(19(23)14-16)11-9-15(2)10-12-20-21(3,4)24-20/h9,13-14,20,22-23H,5-8,10-12H2,1-4H3/b15-9+
InChIKey
JHTVNVIWLKCIEG-OQLLNIDSSA-N
Chemical Structure
2D Structure
2D structure of 6',7'-epoxy Cannabigerol
CAS: 140381-46-0
CID: 168310608
Formula: C21H32O3
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass332.23514488
Monoisotopic Mass332.23514488
Topological Polar Surface Area53 Ų
Heavy Atom Count24
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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