Structure Database (LMSD)

Systematic Name
3,7-Dihydroxyflavone
Synonyms
LM ID
LMPK12111545
Formula
C15H10O4
Exact Mass
Calculate m/z
254.05791
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
UWQJWDYDYIJWKY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,16,18H
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C=C1

Other Databases

HMDB ID
HMDB0134547
CHEBI ID
109535
METABOLOMICS ID
FL5F19NS0001
PubChem CID
5393152
PDB ID
HHF

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 212.32
Topological Polar Surface Area 70.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.77
Molar Refractivity 71.36

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Updated at
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