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Cannabidiol

CAT: 1410-M20247-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Cannabidiol is GPR55 and weak CB1 antagonist (IC50s: 0.445 and 3.35 μM) CB2 receptor inverse agonist and inhibitor of anandamide uptake (IC50: 27.5 μM) . It also a weak agonist at VR1 vanilloid receptors (EC50: 3.5 μM) .
CAS Number
13956-29-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
314.46
Molecular Formula
C21H30O2
Notes
Research use only, not for human use.
Receptor
GPR55 antagonist| CB1 antagonist| CB2 inverse agonist| VR1

Chemical Information

Cannabidiol

Cannabidiol is an cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. It has a role as an antimicrobial agent and a plant metabolite. It is a member of resorcinols, a phytocannabinoid and an olefinic compound.

CAS Number13956-29-1
PubChem CID644019
IUPAC Name2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Molecular FormulaC21H30O2
Molecular Weight314.5
XLogP6.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity414
SMILES
CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
InChI
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
InChIKey
QHMBSVQNZZTUGM-ZWKOTPCHSA-N
Chemical Structure
2D Structure
2D structure of Cannabidiol
CAS: 13956-29-1
CID: 644019
Formula: C21H30O2
MW: 314.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.5
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass314.224580195
Monoisotopic Mass314.224580195
Topological Polar Surface Area40.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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