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O-1602

CAT: 0931-T23097-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T23097-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
317321-41-8
Target
Calcium Channel, Cannabinoid Receptor
Related Pathways
GPCR/G Protein, Metabolism, Membrane transporter/Ion channel
Purity
0.9985
Bioactivity
O-1602 is a novel GPR55 agonist, an atypical cannabinoid associated with the central nervous system and obesity, and is a candidate compound for the treatment of cystitis.O-1602 promotes hepatic steatosis through GPR55 and PI3 kinase / Akt / SREBP-1c signalling in mice.O-1602 induces, in a GPR3-independent manner, in Hep55B cells with elevated intracellular calcium.
Smiles
CC1=C(C(O)=CC(O)=C1)[C@H]2[C@H](C(C)=C)CCC(C)=C2
Molecular Formula
C17H22O2
Molecular Weight
258.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Methyl-4-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-1,3-benzenediol
CAS Number317321-41-8
PubChem CID45073499
IUPAC Name5-methyl-4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
Molecular FormulaC17H22O2
Molecular Weight258.35
XLogP4.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity371
SMILES
CC1=C[C@H]([C@@H](CC1)C(=C)C)C2=C(C=C(C=C2C)O)O
InChI
InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1
InChIKey
KDZOUSULXZNDJH-LSDHHAIUSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-4-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-1,3-benzenediol
CAS: 317321-41-8
CID: 45073499
Formula: C17H22O2
MW: 258.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.35
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass258.161979940
Monoisotopic Mass258.161979940
Topological Polar Surface Area40.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity371
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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