Structure Database (LMSD)
Common Name
Apigenin 7,4'-dimethyl ether
Systematic Name
5-Hydroxy-4',7-dimethoxyflavone
Synonyms
- Genkwanin 4'-methyl ether
3D model of Apigenin 7,4'-dimethyl ether
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
LZERJKGWTQYMBB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
255.71
Topological Polar Surface Area
68.90
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
4.08
Molar Refractivity
82.80
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Updated at
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