Structure Database (LMSD)

Systematic Name
5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone
Synonyms
LM ID
LMPK12112721
Formula
C21H20O7
Exact Mass
Calculate m/z
384.120905
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)
VCKYLOIMXUHPDA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O7/c1-10(2)4-5-11-6-12(7-15(24)18(11)25)20-21(27-3)19(26)17-14(23)8-13(22)9-16(17)28-20/h4,6-9,22-25H,5H2,1-3H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=C(C/C=C(\C)/C)C=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0040837
CHEBI ID
175906
METABOLOMICS ID
FL5FDCNI0004
PubChem CID
5315127

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 339.85
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.70
Molar Refractivity 104.37

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Updated at
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