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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1522900
CHEMBL1522900
Compound Name MENTHOFURAN
ChEMBL Synonyms Menthofuran
Max Phase 0
Trade Names
Molecular Formula C10H14O

Additional synonyms for CHEMBL1522900 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1CCc2c(C)coc2C1
Standard InChI InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1- ...
Download InChI
Standard InChI Key YGWKXXYGDYYFJU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1522900

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
150.2 150.1045 2.71 0 13.14 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.56 3.56 1 11 0.55

Structural Alerts

There are no structural alerts for CHEMBL1522900

Compound Cross References

ChemSpider ChemSpider:YGWKXXYGDYYFJU-UHFFFAOYSA-N
PubChem SID: 144207920 SID: 17388929

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1522900



BindingDB 50418084
Brenda 42563
ChEBI 50542
ChemicalBook CB9407301
eMolecules 595893
EPA CompTox Dashboard DTXSID9025534
Human Metabolome Database HMDB0036089
IBM Patent System DE7497EEA942557C8489DF3575ED391B
KEGG Ligand C09868
Mcule MCULE-5659713573
Metabolights MTBLC50542
MolPort MolPort-003-960-080
Nikkaji J11.817F
NMRShiftDB 10008906
PubChem 329983
PubChem: Thomson Pharma 14769449
SureChEMBL SCHEMBL1472618

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