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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL108862
CHEMBL108862
Compound Name CHAVICOL
ChEMBL Synonyms 4-Allyl-Phenol
Max Phase 0
Trade Names
Molecular Formula C9H10O

Additional synonyms for CHEMBL108862 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(CC=C)cc1
Standard InChI InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2
Standard InChI Key RGIBXDHONMXTLI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL108862

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
134.2 134.0732 2.12 2 20.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.24 - 2.54 2.54 1 10 0.61

Structural Alerts

There are 3 structural alerts for CHEMBL108862. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RGIBXDHONMXTLI-UHFFFAOYSA-N
Wikipedia Chavicol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL108862



ACToR 501-92-8
Brenda 154043 131107 7167 35327
ChEBI 50158
EPA CompTox Dashboard DTXSID60198210
FDA SRS Q5ER4K6969
Human Metabolome Database HMDB0034107
IBM Patent System 750B33374FC7FA6AEB331E27DFBF8591 6D3B11E38AE5795B266A5490B5662740
KEGG Ligand C16930
Mcule MCULE-8960123940
MolPort MolPort-006-111-494
Nikkaji J6.195F
NMRShiftDB 20181699
PubChem 68148
PubChem: Thomson Pharma 15170708
SureChEMBL SCHEMBL30870
ZINC ZINC000001565456

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