Structure Database (LMSD)

Common Name
Taxifolin
Systematic Name
Synonyms
LM ID
LMPK12140721
Formula
C15H12O7
Exact Mass
Calculate m/z
304.058305
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

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/

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

Other Databases

KEGG ID
C01617
CHEBI ID
17948
PubChem CID
439533
PDB ID
DQH

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