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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL153
CHEMBL153
Compound Name TROLOX
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18O4

Additional synonyms for CHEMBL153 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)O
Standard InChI InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12) ...
Download InChI
Standard InChI Key GLEVLJDDWXEYCO-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL153

Alternate Forms of Compound in ChEMBL


CHEMBL153

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
250.3 250.1205 3.49 1 66.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.35 - 2.46 -1.11 1 18 0.8

Compound Cross References

ChemSpider ChemSpider:GLEVLJDDWXEYCO-UHFFFAOYSA-N
PubChem SID: 56463570
Wikipedia Trolox

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL153



ACToR 56305-04-5 53188-07-1
BindingDB 50359629
ChEBI 82625
eMolecules 490919
Human Metabolome Database HMDB38804
IBM Patent System E55437558DF44D24E436DFE65DA79F0F
LINCS LSM-4987
Mcule MCULE-8649288753
MolPort MolPort-001-738-524
Nikkaji J236.392E
NMRShiftDB 75045
PubChem 40634
PubChem: Thomson Pharma 14774309
SureChEMBL SCHEMBL3226

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