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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL55415
CHEMBL55415
Compound Name SCUTELLAREIN
ChEMBL Synonyms Scutellarein | 5,6,7,4'-Tetrahydroxyflavone | 6-Hydroxyapigenin
Max Phase 0
Trade Names
Molecular Formula C15H10O6

Additional synonyms for CHEMBL55415 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C2=CC(=O)c3c(O)c(O)c(O)cc3O2
Standard InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6- ...
Download InChI
Standard InChI Key JVXZRQGOGOXCEC-UHFFFAOYSA-N

Structural Alerts

There are 9 structural alerts for CHEMBL55415. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL55415

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
286.2 286.0477 2.17 1 107.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.34 - 2.64 1.23 2 21 0.6

Compound Cross References

ChemSpider ChemSpider:JVXZRQGOGOXCEC-UHFFFAOYSA-N
Wikipedia Scutellarein

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL55415



ACToR 529-53-3
BindinDB 23411
ChEBI 9062
eMolecules 2723940
FDA SRS P460GTI853
IBM Patent System 9A4122B2D41DD7843944D1F417684408
IBM Patents WO2010090987A1 US20070254859 US20030232763 US20080292607 WO2008091710A2 US20090060979 WO2006099217A2 WO2003090673A2 US20030077595 US7183314 US20030103953 WO1998041688A1 EP2046359A1 EP0962537B1 US7771758 EP1505984A2 WO2003039452A2 EP1503778B1 US20100021416 WO2004064725A2 WO2003051287A2 EP0868535B1 US7192611 US20060111435 EP1846011A1 EP1808172A2 WO2010011605A2 US20050171027 US20080009613 US20030216481 WO2006080590A1 WO2010036576A1 US6987125 EP0962537A2 EP1631304A1 US20060292099 EP1624887A1 EP1850840A2 WO2008028336A1 EP1863462A2 WO2007002897A2 EP2241313A1 US6872771 US20100029597 US20060276393 US20070166299 WO2009106121A1 US20070167419 WO2010028187A2 US20040152760 US20060204596 US5643598 US20060276416 EP1898897A2 US20070031398 US20100022661 WO2010054052A1 EP2007406A2 US20030105031 US20050209313 US20100234310 US20100209469 US20030125264 US20030147980 US20100113592 WO2010142364A1 EP1578401A2 US20060002914 EP0868535A2 US7410659 EP1765316A2 WO2006112330A1 EP1536801A2 US6555573 WO2010080866A2 WO2007053794A2 EP1804787A2 US20060172983 EP1912632A2 US20060177528 US20090306225 WO2003002747A1 WO2008011556A2 US7683095 US7083813 EP1782701A1 US20040077556 EP1907007A2 US20100323402 WO2003057210A1 WO2009149411A2 US20100152272 EP1336602A1 WO2007005453A2 WO2001087357A2 EP0850320B1 WO2001070029A1 US20100272790 US20100167286 US7045158
KEGG Ligand C10184
MolPort MolPort-003-724-680
Nikkaji J6.686I
PubChem 5281697
PubChem: Thomson Pharma 14775524
SureChEMBL SCHEMBL142093
ZINC ZINC05842416

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