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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25306
Compound Name LINALOOL
ChEMBL Synonyms Linalool
Max Phase 0
Trade Names
Molecular Formula C10H18O

Additional synonyms for CHEMBL25306 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCCC(C)(O)C=C)C
Standard InChI InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2 ...
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Structural Alerts

There are 4 structural alerts for CHEMBL25306. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


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
154.3 154.1358 2.74 4 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
- - 2.8 2.8 0 11 0.62

Compound Cross References

PubChem SID: 144213354 SID: 17388947 SID: 26753091 SID: 56462784
Wikipedia Linalool

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25306

ACToR 126-91-0 78-70-6 11024-20-7 22564-99-4 126-90-9
ChEBI 17580
eMolecules 524828
Guide to Pharmacology 2469
Human Metabolome Database HMDB36100
IBM Patent System 7094A202BF72934E02771E444ECC6585
IBM Patents US6153567 US3966986 EP0682942A1 WO1990006689A1 EP0323715B1 EP0774980A1 US4983637 EP0980863A1 EP0754199A1 EP0615979A2 US4832947 US4061660 EP0663831A1 EP0752465A1 US4256851 EP0416713B1 WO1990014764A1 US6103678 US4515705 EP0982313A2 US5362759 EP0101578A2 WO1997015584A2 EP0282951A2 US6077318 WO2000051563A1 WO2000065012A1 WO1999035116A1 US5093326 US4040956 EP0634474B1 US4269862 EP0991318A1 US4360606 WO1999036160A1 US6051741 US6036991 US5986088 EP1051071A1 EP0274574A2 EP0762837A1 US5965767 US5628986 US5468500 WO1998001134A1 US5985618 EP0921824A1 US4195100 WO1996019561A1 EP0251905A2 EP0342557B1 EP0615979A3 US5665386 EP0946705A2 EP0342557A1 US4870012 EP0991327A1 US4973485 US5670466 WO1995007684A1 WO2000040535A1 EP0516590A1 EP0725319A1 EP0191519B2 US5945088 US5086076 US5641847 EP0768370A2 US6121234 US6123950 EP0292047A2 EP1000922A1 US5334261 US5589158 WO1999043667A1 US6166067 US5756624 US4800158 US5977186 US5965518 WO1996019119A1 US6046156 EP0275085A2 EP0357130B1 EP0950399A2 WO1994003058A1 EP0412415B1 EP0292048A2 US4774081 US5731278 US5260086 EP0799885A1 US5710122 WO2000003612A2 WO1997034988A1 EP0695328A1 WO1996029867A2 US6054547 WO1998058899A1 WO1997043369A1
KEGG Ligand C03985
Mcule MCULE-2407576698
MolPort MolPort-001-783-101
Nikkaji J86.711J J2.830D
NMRShiftDB 10008832
PubChem 6549
PubChem: Thomson Pharma 15237804

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