Structure Database (LMSD)
Systematic Name
5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone
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)
CTFJUDTWKJHYNX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(26-21(15)20)13-5-7-14(25-3)8-6-13/h4-8,10,19,22-23H,9,11H2,1-3H3
SMILES (Click to copy)
C1C(O)=C(C/C=C(\C)/C)C2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C=1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
335.81
Topological Polar Surface Area
78.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
4.32
Molar Refractivity
98.22
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Updated at
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