Structure Database (LMSD)
Systematic Name
(2S)-5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone
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)
GKOWEQNADRJYIA-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-4-20(2,3)18-14(23)10-16-17(19(18)24)13(22)9-15(25-16)11-5-7-12(21)8-6-11/h4-8,10,15,21,23-24H,1,9H2,2-3H3/t15-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C(C)(C)C=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
318.51
Topological Polar Surface Area
89.06
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.97
Molar Refractivity
93.42
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Updated at
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