Standard InChI: InChI=1S/C28H40O2/c1-6-7-8-10-22-19-25(29)24-15-18-28(5,30-26(24)20-22)17-9-16-27(3,4)23-13-11-21(2)12-14-23/h11-14,19-20,29H,6-10,15-18H2,1-5H3
Transient receptor potential cation channel subfamily V member 2 148 Activities
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Transient receptor potential cation channel subfamily M member 8 889 Activities
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Transient receptor potential cation channel subfamily A member 1 1003 Activities
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Transient receptor potential cation channel subfamily V member 4 137 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 408.63
Molecular Weight (Monoisotopic): 408.3028
AlogP: 7.67
#Rotatable Bonds: 9
Polar Surface Area: 29.46
Molecular Species: NEUTRAL
HBA: 2
HBD: 1
#RO5 Violations: 1
HBA (Lipinski): 2
HBD (Lipinski): 1
#RO5 Violations (Lipinski): 1
CX Acidic pKa: 9.89
CX Basic pKa:
CX LogP: 9.08
CX LogD: 9.07
Aromatic Rings: 2
Heavy Atoms: 30
QED Weighted: 0.43
Np Likeness Score: 1.02
References
1.Lopatriello A, Caprioglio D, Minassi A, Schiano Moriello A, Formisano C, De Petrocellis L, Appendino G, Taglialatela-Scafati O.. (2018) Iodine-mediated cyclization of cannabigerol (CBG) expands the cannabinoid biological and chemical space., 26 (15):[PMID:30077611][10.1016/j.bmc.2018.07.044]
