-
2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-pentylbenzene-1,3-diol
-
ChemBase ID:
126379
-
Molecular Formular:
C21H32O2
-
Molecular Mass:
316.47758
-
Monoisotopic Mass:
316.24023026
-
SMILES and InChIs
SMILES:
Oc1cc(cc(O)c1C/C=C(\C)/CCC=C(C)C)CCCCC
Canonical SMILES:
CCCCCc1cc(O)c(c(c1)O)C/C=C(/CCC=C(C)C)\C
InChI:
InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3
InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N
-
Cite this record
CBID:126379 http://www.chembase.cn/molecule-126379.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-pentylbenzene-1,3-diol
|
2-(3,7-dimethylocta-2,6-dien-1-yl)-5-pentylbenzene-1,3-diol
|
|
|
IUPAC Traditional name
|
cannabigerol
|
2-(3,7-dimethylocta-2,6-dien-1-yl)-5-pentylbenzene-1,3-diol
|
|
|
Synonyms
|
2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-pentyl-1,3-benzenediol
|
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-5-pentyl-1,3-benzenediol
|
2-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5-pentyl-1,3-benzenediol
|
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-5-pentylresorcinol
|
Cannabigerol
|
Cannabigerol
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
CHEMBL
|
|
Chemspider ID
|
|
Wikipedia Title
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
9.16394
|
H Acceptors
|
2
|
H Donor
|
2
|
LogD (pH = 5.5)
|
7.045999
|
LogD (pH = 7.4)
|
7.0387187
|
Log P
|
7.0460925
|
Molar Refractivity
|
101.5104 cm3
|
Polarizability
|
38.643547 Å3
|
Polar Surface Area
|
40.46 Å2
|
Rotatable Bonds
|
9
|
Lipinski's Rule of Five
|
false
|
PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Apperance
|
Powder
|
Show
data source
|
|
DETAILS
DETAILS
Wikipedia
TRC
Toronto Research Chemicals -
C175370
|
Cannabigerol is a partial agonist of CB2 and CB1 receptors (Ki values are 337 and 440 nM respectively). Cannabigerol also exhibits α2-adrenoceptor agonist activity (EC50 = 0.2 nM in mouse brain membranes). |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Watanabe, K., et al.: Biol. Pharm. Bull., 18, 1138 (1995)
- • Iverson, L., et al.: Brain, 126, 1252 (1995)
- • Hayakawa, K., et al.: Brain Res., 1188, 157 (1995)
- • Wright, K., et al.: Br. J. Pharmacol., 153, 263 (1995)
- Searching...Please wait...
PATENTS
PATENTS
PubChem Patent
Google Patent