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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL443408
CHEMBL443408
Compound Name MYRTENOL
ChEMBL Synonyms myrtenol
Max Phase 0
Trade Names
Molecular Formula C10H16O

Additional synonyms for CHEMBL443408 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)C2CC=C(CO)C1C2
Standard InChI InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4- ...
Download InChI
Standard InChI Key RXBQNMWIQKOSCS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL443408

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
152.2 152.1201 1.97 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
- - 2.85 2.85 0 11 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL443408. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RXBQNMWIQKOSCS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL443408



ACToR 111957-74-5 6712-78-3 515-00-4
Brenda 91997 149183
eMolecules 31266219
EPA CompTox Dashboard DTXSID00862089
Human Metabolome Database HMDB0035100
IBM Patent System BD70E67408C3D48EF5CDBBB1A589A744
KEGG Ligand C11938
LipidMaps LMPR0102120022
Nikkaji J2.625E
NMRShiftDB 2243
PubChem 10582
SureChEMBL SCHEMBL155709

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