Structure Database (LMSD)
Systematic Name
6,3',4'-Trihydroxy-4-methoxy-5-methylaurone
Synonyms
3D model of
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)
APQPPUISLRYCEH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-8-11(19)7-13-15(17(8)22-2)16(21)14(23-13)6-9-3-4-10(18)12(20)5-9/h3-7,18-20H,1-2H3
SMILES (Click to copy)
C12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(O)C(C)=C2OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
275.40
Topological Polar Surface Area
98.29
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
2.74
Molar Refractivity
82.10
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Updated at
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