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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL281202
CHEMBL281202
Compound Name CARVACROL
ChEMBL Synonyms Carvacrol
Max Phase 0
Trade Names
Molecular Formula C10H14O

Additional synonyms for CHEMBL281202 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1ccc(C)c(O)c1
Standard InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
Standard InChI Key RECUKUPTGUEGMW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL281202

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 2.82 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
10.38 - 3.16 3.16 1 11 0.65

Structural Alerts

There are no structural alerts for CHEMBL281202

Compound Cross References

ChemSpider ChemSpider:RECUKUPTGUEGMW-UHFFFAOYSA-N
PubChem SID: 144211695
Wikipedia Carvacrol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL281202



ACToR 95909-43-6 499-75-2
Atlas Carvacrol
BindingDB 50240433
Brenda 6150
ChEBI 3440
ChemicalBook CB6134604
eMolecules 489381
EPA CompTox Dashboard DTXSID6042074
FDA SRS 9B1J4V995Q
Guide to Pharmacology 2497
Human Metabolome Database HMDB0035770
IBM Patent System 543DBC4FF18E4D78582BDE1EA1EE4028
KEGG Ligand C09840
LipidMaps LMPR0102090017
Metabolights MTBLC3440
MolPort MolPort-001-791-894
Nikkaji J6.180H
NMRShiftDB 10008803
PubChem 10364
PubChem: Thomson Pharma 15194720
SureChEMBL SCHEMBL24734
ZINC ZINC000000967563

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