scutellarein   Click here for help

GtoPdb Ligand ID: 12463

Synonyms: 5,6,7,4'-Tetrahydroxyflavone | 6-Hydroxyapigenin
Compound class: Natural product
Comment: Scutellarein is a naturally occurring plant flavone.

SARS-CoV-2: Scutellarein has been reported as a low potency inhibitor of the helicase activity of coronavirus nsp13 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 1
Topological polar surface area 107.22
Molecular weight 286.24
XLogP 1.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O)O
Isomeric SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O
InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
InChI Key JVXZRQGOGOXCEC-UHFFFAOYSA-N
Classification Click here for help
Compound class Natural product
IUPAC Name Click here for help
5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Synonyms Click here for help
5,6,7,4'-Tetrahydroxyflavone | 6-Hydroxyapigenin
Database Links Click here for help
Specialist databases
GPCRdb Ligand scutellarein
Other databases
BindingDB Ligand 23411
CAS Registry No. 529-53-3 (source: PubChem)
ChEBI CHEBI:9062
ChEMBL Ligand CHEMBL55415
GtoPdb PubChem SID 479821253
LIPID MAPS LMPK12111160
PubChem CID 5281697
Search Google for chemical match using the InChIKey JVXZRQGOGOXCEC-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey JVXZRQGOGOXCEC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JVXZRQGOGOXCEC-UHFFFAOYSA-N