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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL484853
CHEMBL484853
Compound Name CARNOSIC ACID
ChEMBL Synonyms Carnosic Acid | Carsonic Acid | Carnosolic Acid
Max Phase 0
Trade Names
Molecular Formula C20H28O4

Additional synonyms for CHEMBL484853 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(=O)O)c2c(O)c1O
Standard InChI InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14 ...
Download InChI
Standard InChI Key QRYRORQUOLYVBU-VBKZILBWSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL484853

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
332.4 332.1988 4.91 2 77.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.14 - 5.41 2.26 1 24 0.67

Structural Alerts

There are 3 structural alerts for CHEMBL484853. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QRYRORQUOLYVBU-VBKZILBWSA-N
PubChem SID: 26755271 SID: 524212
Wikipedia Carnosic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL484853



ACToR 3650-09-7
BindingDB 50371232
Brenda 17796
ChEBI 65585
eMolecules 1936077
FDA SRS LI791SXT24
IBM Patent System 64C75D841C201047A9B7875E24606EFE
Metabolights MTBLC65585
MolPort MolPort-005-943-409
Nikkaji J16.357K
PubChem 65126
PubChem: Drugs of the Future 136349972
PubChem: Thomson Pharma 14753270
SureChEMBL SCHEMBL9923661
ZINC ZINC000003984016

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