Structure Database (LMSD)

Systematic Name
5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone
Synonyms
LM ID
LMPK12113073
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
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)
VZYLUNLHPIFZJH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-23-12-6-5-9(20)7-10(12)16-19(26-4)15(22)14-11(21)8-13(24-2)17(25-3)18(14)27-16/h5-8,20-21H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C(OC)=CC=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FF8NS0007
PubChem CID
44259905

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 316.68
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.81
Molar Refractivity 97.57

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Updated at
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