ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1883305
CHEMBL1883305
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H26O

Additional synonyms for CHEMBL1883305 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C
Standard InChI InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6) ...
Download InChI
Standard InChI Key ONKNPOPIGWHAQC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1883305

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
258.4 258.1984 4.53 0 9.23 -


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
- - 5.04 5.04 1 19 0.66

Structural Alerts

There are no structural alerts for CHEMBL1883305

Compound Cross References

ChemSpider ChemSpider:ONKNPOPIGWHAQC-UHFFFAOYSA-N
PubChem SID: 26757835

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1883305



ACToR 1222-05-5
Brenda 60994 196809
ChEBI 83784
EPA CompTox Dashboard DTXSID8027373
IBM Patent System 3203F76021F168E8ED6979D62524D45E
MolPort MolPort-003-960-203
Nikkaji J13.040K
PubChem 91497
PubChem: Thomson Pharma 14798910
SureChEMBL SCHEMBL115118

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