Structure Database (LMSD)

Common Name
Taxifolin
Systematic Name
Synonyms
LM ID
LMPK12140721
Status
Active
Exact Mass
Calculate m/z
304.058305
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)
CXQWRCVTCMQVQX-LSDHHAIUSA-N
InChi (Click to copy)
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)[C@@H]([C@@H](C3=CC=C(O)C(O)=C3)OC=2C=1)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Silybum marianum (#92921)
Magnoliopsida (#3398)
Tyrosinase inhibitory study of flavonolignans from the seeds of Silybum marianum (Milk thistle).,
Bioorg Med Chem, 2019
Pubmed ID: 30871862
Silybum marianum (#92921)
Magnoliopsida (#3398)
Flavonoid imported from http://metabolomics.jp/

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 252.23
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 1.47
Molar Refractivity 73.76

Admin

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