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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL218693
CHEMBL218693
Compound Name CARNOSOL
ChEMBL Synonyms Carnosol
Max Phase 0
Trade Names
Molecular Formula C20H26O4

Additional synonyms for CHEMBL218693 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)c2c(O)c1O
Standard InChI InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14 ...
Download InChI
Standard InChI Key XUSYGBPHQBWGAD-PJSUUKDQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL218693

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
330.4 330.1831 4.29 1 66.76 NEUTRAL


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
8.91 - 2.83 2.82 1 24 0.6

Structural Alerts

There are 4 structural alerts for CHEMBL218693. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XUSYGBPHQBWGAD-PJSUUKDQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL218693



BindingDB 50213683
Brenda 163532
ChEBI 3429
FDA SRS 483O455CKD
Human Metabolome Database HMDB0002121
IBM Patent System 42457AD894437B512A2E8BCA5097D881
KEGG Ligand C09069
LINCS LSM-37166
MolPort MolPort-016-580-725
Nikkaji J39.959K
PubChem 442009
PubChem: Thomson Pharma 16940246
SureChEMBL SCHEMBL42365
ZINC ZINC000003871891

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