Phyto4Health

Sesquicannabigerol

Representations & DB's id

ChEBI: CHEBI:69479
ChEMBL: CHEMBL1823117
PubChem: 54669855
IUPAC: 5-pentyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol
Standard InChI: InChI=1S/C26H40O2/c1-6-7-8-15-23-18-25(27)24(26(28)19-23)17-16-22(5)14-10-13-21(4)12-9-11-20(2)3/h11,13,16,18-19,27-28H,6-10,12,14-15,17H2,1-5H3/b21-13+,22-16+
Standard InChI Key: WYEFRBILENQYOH-CZHHEZJISA-N
SMILES: CCCCCc1cc(O)c(c(c1)O)C/C=C(/CC/C=C(/CCC=C(C)C)C)C

Molecular propeties

AlogP: 7.79
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 12
Number of rings: 1
Molecular Weight: 384.3
Topological polar surface area: 40.5
Number of aromatic rings: 1
Fsp3: 0.538
Number of carbons: 26

Plant sources

Part of plant Plant name Ref.
PlantCannabis sativa

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC503270 nMCannabinoid CB1 receptorP21554
IC50710 nMCannabinoid CB2 receptorP34972
EC504400 nMVanilloid receptorQ8NER1
IC505700 nMVanilloid receptorQ8NER1
Ki750 nMCannabinoid CB1 receptorP21554
Ki180 nMCannabinoid CB2 receptorP34972