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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL418068
CHEMBL418068
Compound Name RHEIN
ChEMBL Synonyms Rhein
Max Phase 0
Trade Names
Molecular Formula C15H8O6

Additional synonyms for CHEMBL418068 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Standard InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(1 ...
Download InChI
Standard InChI Key FCDLCPWAQCPTKC-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL418068

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
284.2 284.0321 1.95 1 111.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.17 - 4.29 .1 2 21 0.74

Structural Alerts

There are 6 structural alerts for CHEMBL418068. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FCDLCPWAQCPTKC-UHFFFAOYSA-N
PubChem SID: 124883454 SID: 124883455 SID: 144208296 SID: 17388745 SID: 50104142 SID: 855879
Wikipedia Rhein_(molecule)

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL418068



ACToR 478-43-3
BindingDB 32021
ChEBI 8825
eMolecules 493879
EPA CompTox Dashboard DTXSID4026000
FDA SRS YM64C2P6UX
Human Metabolome Database HMDB32876
IBM Patent System 8110031A94E2F56CFACECDEAFBEA00D7
KEGG Ligand C10401
LINCS LSM-20950
LipidMaps LMPK13040015
Mcule MCULE-1248137705
MolPort MolPort-001-742-586
Nikkaji J12.584I
PDBe RHN
PubChem 10168
PubChem: Drugs of the Future 12015962
PubChem: Thomson Pharma 14799795
Selleck Rhein-Monorhein
SureChEMBL SCHEMBL25253

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