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Δ8-THC methyl ether

CAT: 0931-T203182-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T203182-02Size:50 mg
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CAS Number
1451-20-3
Target
Cannabinoid Receptor
Related Pathways
GPCR/G Protein
Bioactivity
Δ8-THC methyl ether (compound 3) demonstrates a strong docking score of -10.167 kcal/mol for the CB2 receptor. Additionally, Δ8-THC methyl ether exhibits antinociceptive activity in mice.
Smiles
O(C)C1=C2[C@]3([C@](C(C)(C)OC2=CC(CCCCC)=C1)(CC=C(C)C3)[H])[H]
Molecular Formula
C22H32O2
Molecular Weight
328.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-methoxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran
CAS Number1451-20-3
PubChem CID15114753
IUPAC Name(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
Molecular FormulaC22H32O2
Molecular Weight328.5
XLogP6.1
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity453
SMILES
CCCCCC1=CC2=C([C@@H]3CC(=CC[C@H]3C(O2)(C)C)C)C(=C1)OC
InChI
InChI=1S/C22H32O2/c1-6-7-8-9-16-13-19(23-5)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h10,13-14,17-18H,6-9,11-12H2,1-5H3/t17-,18-/m1/s1
InChIKey
GRLARWXSTOXAGR-QZTJIDSGSA-N
Chemical Structure
2D Structure
2D structure of (6aR,10aR)-6a,7,10,10a-Tetrahydro-1-methoxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran
CAS: 1451-20-3
CID: 15114753
Formula: C22H32O2
MW: 328.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.5
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass328.240230259
Monoisotopic Mass328.240230259
Topological Polar Surface Area18.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity453
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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