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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1974890
CHEMBL1974890
Compound Name CEDROL
ChEMBL Synonyms Cedrol
Max Phase 0
Trade Names
Molecular Formula C15H26O

Additional synonyms for CHEMBL1974890 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1974890

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 3.61 0 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
- - 4.64 4.64 0 16 0.66

Structural Alerts

There are no structural alerts for CHEMBL1974890

Compound Cross References

ChemSpider ChemSpider:SVURIXNDRWRAFU-OGMFBOKVSA-N
PubChem SID: 144210143 SID: 474143

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1974890



ACToR 13567-37-8
BindingDB 50430739
ChEBI 10217
eMolecules 489459
EPA CompTox Dashboard DTXSID1041269
FDA SRS 63ZM9703BO
IBM Patent System 5BC5BABE87BFB5F17CE9F625D3F48120
KEGG Ligand C09631
LipidMaps LMPR0103690007
MolPort MolPort-003-910-655
Nikkaji J499.451E
PubChem 65575
PubChem: Thomson Pharma 16878959
SureChEMBL SCHEMBL107488
ZINC ZINC000003978626

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