Structure Database (LMSD)
Common Name
Dihydrobiochanin A
Systematic Name
Synonyms
3D model of Dihydrobiochanin A
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)
XPZQBSCTDLGDBP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-7,12,17-18H,8H2,1H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(OC)C=C3)C(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
251.95
Topological Polar Surface Area
78.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
2.75
Molar Refractivity
75.82
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Created at
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Updated at
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