cannabichromene   Click here for help

GtoPdb Ligand ID: 11093

Synonyms: (+/-)-Cannabichromene | cannabichrome | CBC
Comment: Cannabichromene (CBC) is a phytocannabinoid.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 29.46
Molecular weight 314.22
XLogP 6.78
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O
Isomeric SMILES CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O
InChI InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
InChI Key UVOLYTDXHDXWJU-UHFFFAOYSA-N
Classification Click here for help
Compound class Natural product or derivative
IUPAC Name Click here for help
2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
Synonyms Click here for help
(+/-)-Cannabichromene | cannabichrome | CBC
Database Links Click here for help
BindingDB Ligand 50318486
CAS Registry No. 20675-51-8 (source: ChemIDplus)
ChEBI CHEBI:3357
ChEMBL Ligand CHEMBL422704
DrugBank Ligand DB14735
GtoPdb PubChem SID 434122154
PubChem CID 30219
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