Structure Database (LMSD)
Common Name
Chrysin
Systematic Name
5,7-Dihydroxyflavone
Synonyms
3D model of Chrysin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
RTIXKCRFFJGDFG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
212.32
Topological Polar Surface Area
70.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.77
Molar Refractivity
71.36
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Updated at
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