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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL422704
CHEMBL422704
Compound Name CANNABICHROMENE
ChEMBL Synonyms Cannabichromene
Max Phase 0
Trade Names
Molecular Formula C21H30O2

Additional synonyms for CHEMBL422704 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCc1cc(O)c2C=CC(C)(CCC=C(C)C)Oc2c1
Standard InChI InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-2 ...
Download InChI
Standard InChI Key UVOLYTDXHDXWJU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL422704

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
314.5 314.2246 6.58 7 29.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 1 2 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.68 - 7.59 7.58 1 23 0.46

Structural Alerts

There are 3 structural alerts for CHEMBL422704. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UVOLYTDXHDXWJU-UHFFFAOYSA-N
Wikipedia Cannabichromene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL422704



ACToR 20675-51-8
BindingDB 50318486
ChEBI 3357
IBM Patent System 61E8C43AEB18416FE2BB8696ED313D18
KEGG Ligand C08998
MolPort MolPort-039-052-650
Nikkaji J10.941J
PubChem 30219
PubChem: Thomson Pharma 15024315
SureChEMBL SCHEMBL144938

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UVOLYTDXHDXWJU-UHFFFAOYSA-N spacer
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