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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL479020
CHEMBL479020
Compound Name
ChEMBL Synonyms Alpha-Zingiberene
Max Phase 0
Trade Names
Molecular Formula C15H24

Additional synonyms for CHEMBL479020 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCC=C(C)C)[C@@H]1CC=C(C)C=C1
Standard InChI InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8 ...
Download InChI
Standard InChI Key KKOXKGNSUHTUBV-CABCVRRESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL479020

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
204.4 204.1878 5.08 4 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.38 6.38 0 15 0.56

Structural Alerts

There are 2 structural alerts for CHEMBL479020. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KKOXKGNSUHTUBV-CABCVRRESA-N
Wikipedia Zingiberene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL479020



ChEBI 583099
Nikkaji J2.479.075D
PubChem 11127403
PubChem: Thomson Pharma 16203250
ZINC ZINC000044431718

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