Structure Database (LMSD)
Common Name
Cladrin
Systematic Name
7-Hydroxy-3',4'-dimethoxyisoflavone
Synonyms
3D model of Cladrin
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)
VFZIJLPRJAQGFO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-9,18H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC(OC)=C(OC)C=3)C(=O)C=2C=C1
Other Databases
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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Created at
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Updated at
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