Structure Database (LMSD)

OH O O OH HO O
Common Name
Hesperetin
Systematic Name
Synonyms
LM ID
LMPK12140003
Formula
C16H14O6
Exact Mass
Calculate m/z
302.07904
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
AIONOLUJZLIMTK-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3=CC=C(OC)C(O)=C3)CC(=O)C2=C(O)C=1

References

Other Databases

Wikipedia
Hesperetin
KEGG ID
C01709
HMDB ID
HMDB0005782
CHEBI ID
28230
PubChem CID
72281
Cayman ID
10006084
PDB ID
6JP
GuidePharm ID
10953

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 260.74
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.52
Molar Refractivity 76.75

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Updated at
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