cannabigerol   Click here for help

GtoPdb Ligand ID: 11094

Synonyms: CBG
Comment: Cannabigerol (CBG) is a phytocannabinoid that is a biosynthetic presursor for the synthesis of other cannabinoids. It is a minor constituent of herbal cannabis.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 40.46
Molecular weight 316.24
XLogP 7.31
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCc1cc(O)c(c(c1)O)C/C=C(/CCC=C(C)C)\C
Isomeric 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/b17-12+
InChI Key QXACEHWTBCFNSA-SFQUDFHCSA-N
Classification Click here for help
Compound class Natural product or derivative
Synonyms Click here for help
CBG
Database Links Click here for help
BindingDB Ligand 50318487
CAS Registry No. 25654-31-3 (source: ChemIDplus)
CATH/Gene3D CHEBI:69477
ChEMBL Ligand CHEMBL497318
DrugBank Ligand DB14734
GtoPdb PubChem SID 434122155
PubChem CID 5315659
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