Structure Database (LMSD)

Common Name
Geraldone
Systematic Name
7,4'-Dihydroxy-3'-methoxyflavone
Synonyms
LM ID
LMPK12110043
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
Trifolium subterraneum (#3900)
Magnoliopsida (#3398)
Flavonoids in genotypes of Trifolium subterraneum—I : The normal flavonoid pattern of the Geraldton variety,
Phytochemistry, 1968
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
OUMMPAFEQHTYIZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O5/c1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14/h2-8,17-18H,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C=C1

Other Databases

KEGG ID
C10047
HMDB ID
HMDB0133330
CHEBI ID
5326
METABOLOMICS ID
FL3F1CNS0002
PubChem CID
5281618

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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Created at
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Updated at
5th Jun 2024