Structure Database (LMSD)

O OH OH OH O
Systematic Name
5,2',5'-Trihydroxyflavone
Synonyms
LM ID
LMPK12110088
Formula
C15H10O5
Exact Mass
Calculate m/z
270.052825
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
NAEHVPAKHDOTSP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c16-8-4-5-10(17)9(6-8)14-7-12(19)15-11(18)2-1-3-13(15)20-14/h1-7,16-18H
SMILES (Click to copy)
C1=CC2OC(C3C=C(O)C=CC=3O)=CC(=O)C=2C(O)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FL3F98NS0009
PubChem CID
14213592

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 221.11
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.48
Molar Refractivity 73.02

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Updated at
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