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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL486795
CHEMBL486795
Compound Name
ChEMBL Synonyms Alpha-Cadinol
Max Phase 0
Trade Names
Molecular Formula C15H26O

Additional synonyms for CHEMBL486795 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CCC(=C[C@@H]12)C
Standard InChI InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12) ...
Download InChI
Standard InChI Key LHYHMMRYTDARSZ-BYNSBNAKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL486795

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
222.4 222.1984 3.78 1 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
- - 4.9 4.9 0 16 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL486795. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LHYHMMRYTDARSZ-BYNSBNAKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL486795



ACToR 481-34-5
ChEBI 132905
FDA SRS DC0YJ4816P
Metabolights MTBLC132905
Nikkaji J14.214J
PubChem 10398656
PubChem: Thomson Pharma 15415030
SureChEMBL SCHEMBL4276031

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