Structure Database (LMSD)

Common Name
Thymusin
Systematic Name
5,6-Dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one
Synonyms
  • 5,6,4'-Trihydroxy-7,8-dimethoxyflavone
LM ID
LMPK12111445
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Thymus herba-barona (#1107925)
Magnoliopsida (#3398)
Free flavonoid aglycones from Thymus herba barona and its monoterpenoid chemotypes,
Phytochemistry, 1995

String Representations

InChiKey (Click to copy)
DAUMHRNXYGHXIC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-16-14(21)13(20)12-10(19)7-11(24-15(12)17(16)23-2)8-3-5-9(18)6-4-8/h3-7,18,20-21H,1-2H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1O

Other Databases

METABOLOMICS ID
FL3FGANS0004
PubChem CID
628895

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 273.29
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.49
Molar Refractivity 86.13

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Created at
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Updated at
16th Apr 2026