Structure Database (LMSD)
Common Name
Apigenin 5,7,4'-trimethyl ether
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Apigenin 5,7,4'-trimethyl ether
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)
ZXJJBDHPUHUUHD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(OC)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
273.01
Topological Polar Surface Area
57.90
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
4.39
Molar Refractivity
87.68
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Created at
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Updated at
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