Structure Database (LMSD)

Systematic Name
3,4'-Dihydroxy-7,3',5'-trimethoxyflavone
Synonyms
LM ID
LMPK12111581
Formula
C18H16O7
Exact Mass
Calculate m/z
344.089605
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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/

String Representations

InChiKey (Click to copy)
GBWMFLHSTNCGQS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O7/c1-22-10-4-5-11-12(8-10)25-18(17(21)15(11)19)9-6-13(23-2)16(20)14(7-9)24-3/h4-8,20-21H,1-3H3
SMILES (Click to copy)
C12C(=O)C(O)=C(C3C=C(OC)C(O)=C(OC)C=3)OC=1C=C(OC)C=C2

Other Databases

METABOLOMICS ID
FL5F1GNS0005
PubChem CID
10807373

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 290.59
Topological Polar Surface Area 98.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 3.80
Molar Refractivity 91.01

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Updated at
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