Structure Database (LMSD)

Common Name
6-Methylapigenin
Systematic Name
5,7,4'-Trihydroxy-6-methylflavone
Synonyms
LM ID
LMPK12110418
Formula
C16H12O5
Exact Mass
Calculate m/z
284.068475
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

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

CHEBI ID
184639
METABOLOMICS ID
FL3FAANM0001
PubChem CID
9965615

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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