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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL210868
CHEMBL210868
Compound Name AURIN
ChEMBL Synonyms Aurin | CI-43800 | Corallin | Rosolic acid
Max Phase 0
Trade Names
Molecular Formula C19H14O3

Additional synonyms for CHEMBL210868 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3
Standard InChI InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4- ...
Download InChI
Standard InChI Key FYEHYMARPSSOBO-UHFFFAOYSA-N

Structural Alerts

There are 5 structural alerts for CHEMBL210868. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL210868

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
290.3 290.0943 3.75 2 57.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.98 - 2.88 2.87 2 22 0.89

Compound Cross References

ChemSpider ChemSpider:FYEHYMARPSSOBO-UHFFFAOYSA-N
PubChem SID: 26749237 SID: 57261333 SID: 73592 SID: 89854996
Wikipedia Aurin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL210868



ACToR 603-45-2
BindinDB 50427512
eMolecules 498792
FDA SRS 85N4AK3JAU
IBM Patent System 07F38658E61585E256149D6ED3034F52 98D86C6DF18C22264655032A70AC81F6
IBM Patents US4194877 US20090245611 EP0332043A1 US7850911 US20090170074 US6555663 WO2008073166A2 US4585722 US20100227913 US7741046 US20050279234 US4101598 EP1033124A1 WO2009149374A2 US20090186351 US20100331196 US20100104979 WO2006081444A2 WO2002072892A1 EP0265519B1 EP2231879A1 US20030047610 US20080138804 WO2003044079A1 US20100113470 EP2057175A2 WO2007014397A2 US20070128610 US7220554 US20030215903 US20050042638 EP0481436B1 EP1790202A2 US5198335 WO2004039962A2 WO2010056232A1 US6306607 US20080085552 US3951658 US20080299565 US7588863 US7008768 US20020123609 US20040014096 US4116634 US20020188111 US20090142755 US20060061755 WO2010056728A1 EP1451366B1 US20090165801 US7459145 US7098038 US6569415 US7468261 EP0930944A1 US20080019869 WO2005111240A2 US20090155809 WO2009055239A1 US20080293155 EP0890564B1 US20070243535 US4200110 WO2010083252A2 US4775737 US20090170107 US6605362 WO2010051434A1 WO2004042019A2 US20050243305 US5466839 US6323310 US6969753 US6524566 US6982146 EP2078052B1 US7811397 WO2007115556A2 US20030175714 EP0592172B1 WO2008118445A1 US20060188789 US20070077596 US20080103058 WO2005047471A2 US20080294069 WO2009018225A2 WO2007041331A2 US20100190177 WO1987006706A1 US4750936 US20100167289 WO2008060778A2 EP1910688A2 EP0257916B1 WO1996004554A1 EP1973974A2 WO2008039425A2 WO2007016269A2
KEGG Ligand C14213
Mcule MCULE-1450942647
MolPort MolPort-003-666-326
Nikkaji J9.443I
PubChem 5100
PubChem: Thomson Pharma 14922489
SureChEMBL SCHEMBL590856
ZINC ZINC03874879

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