Structure Database (LMSD)
Common Name
Herbacetin 7,8-dimethyl ether
Systematic Name
3,5,4'-Trihydroxy-7,8-dimethoxyflavone
Synonyms
3D model of Herbacetin 7,8-dimethyl 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)
JQUOXVDGPYAXTH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-11-7-10(19)12-13(20)14(21)15(24-17(12)16(11)23-2)8-3-5-9(18)6-4-8/h3-7,18-19,21H,1-2H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
273.29
Topological Polar Surface Area
109.36
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
3.49
Molar Refractivity
86.13
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Updated at
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