Structure Database (LMSD)

Systematic Name
3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Synonyms
LM ID
LMPK12110077
Formula
C19H18O7
Exact Mass
Calculate m/z
358.105255
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)
LCFAQXHDTREUOX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-22-14-6-5-11-12(20)9-15(26-17(11)19(14)25-4)10-7-13(21)18(24-3)16(8-10)23-2/h5-9,21H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(O)C(OC)=C(OC)C=3)=CC(=O)C=2C=C1

Other Databases

HMDB ID
HMDB0040322
CHEBI ID
175601
METABOLOMICS ID
FL3F3GNS0002
PubChem CID
44257591

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 307.89
Topological Polar Surface Area 87.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.10
Molar Refractivity 95.90

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Updated at
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