Structure Database (LMSD)

Systematic Name
7,2'-Dihydroxy-5-methoxyflavone
Synonyms
LM ID
LMPK12110128
Formula
C16H12O5
Exact Mass
Calculate m/z
284.068475
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)
UIVFQXAYYFLAGO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O5/c1-20-14-6-9(17)7-15-16(14)12(19)8-13(21-15)10-4-2-3-5-11(10)18/h2-8,17-18H,1H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3O)OC=1C=C(O)C=C2OC

Other Databases

METABOLOMICS ID
FL3FA8NS0004
PubChem CID
44257615

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 238.41
Topological Polar Surface Area 79.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.78
Molar Refractivity 77.91

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