Structure Database (LMSD)

Common Name
Dihydromyricetin
Systematic Name
Synonyms
LM ID
LMPK12113405
Status
Active
Exact Mass
Calculate m/z
320.05322
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KJXSIXMJHKAJOD-LSDHHAIUSA-N
InChi (Click to copy)
InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3=CC(O)=C(O)C(O)=C3)[C@@H](O)C(=O)C2=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Nekemias grossedentata (#416090)
Magnoliopsida (#3398)
Optimizing the Maximum Recovery of Dihydromyricetin from Chinese Vine Tea, Ampelopsis grossedentata, Using Response Surface Methodology.,
Molecules, 2017
Pubmed ID: 29258286

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 261.02
Topological Polar Surface Area 149.75
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 1.18
Molar Refractivity 75.43

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Created at
8th Jun 2021
Updated at
8th Jun 2021