Structure Database (LMSD)

Common Name
Cerrosillin
Systematic Name
5,6,3',5'-tetramethoxyflavone
Synonyms
LM ID
LMPK12110105
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
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)
OVNSWJOCOLCOSB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-12-7-11(8-13(9-12)22-2)17-10-14(20)18-15(25-17)5-6-16(23-3)19(18)24-4/h5-10H,1-4H3
SMILES (Click to copy)
C1=CC2OC(C3C=C(OC)C=C(OC)C=3)=CC(=O)C=2C(OC)=C1OC

Other Databases

METABOLOMICS ID
FL3F99NS0009
PubChem CID
44257600

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 299.10
Topological Polar Surface Area 67.13
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.39
Molar Refractivity 94.24

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Updated at
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