Structure Database (LMSD)

Systematic Name
5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone
Synonyms
LM ID
LMPK12112751
Formula
Exact Mass
Calculate m/z
372.120905
Status
Curated


Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
BTLJJJSGZVZCGB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-9-15(22)14-16(23)20(26-5)19(27-18(14)10(2)17(9)25-4)11-6-7-12(21)13(8-11)24-3/h6-8,21-22H,1-5H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 325.19
Topological Polar Surface Area 98.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 4.41
Molar Refractivity 100.49

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Updated at
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