Structure Database (LMSD)

Systematic Name
5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone
Synonyms
LM ID
LMPK12110124
Formula
C18H16O5
Exact Mass
Calculate m/z
312.099775
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)
FXMUJVDVKKTZCR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O5/c1-9-16(21)15-13(20)8-14(11-6-4-5-7-12(11)19)23-18(15)10(2)17(9)22-3/h4-8,19,21H,1-3H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3O)OC=1C(C)=C(OC)C(C)=C2O

Other Databases

CHEBI ID
187587
METABOLOMICS ID
FL3FA8NM0001
PubChem CID
44257614

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 273.01
Topological Polar Surface Area 79.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.40
Molar Refractivity 87.38

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Updated at
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