Structure Database (LMSD)
Common Name
6-Methylapigenin
Systematic Name
5,7,4'-Trihydroxy-6-methylflavone
Synonyms
3D model of 6-Methylapigenin
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)
ZLGRXDWWYMFIGI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O5/c1-8-11(18)6-14-15(16(8)20)12(19)7-13(21-14)9-2-4-10(17)5-3-9/h2-7,17-18,20H,1H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=CC=3)OC=1C=C(O)C(C)=C2O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
238.41
Topological Polar Surface Area
90.90
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.79
Molar Refractivity
77.76
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Updated at
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