Structure Database (LMSD)

Common Name
7,8-dihydroxyflavone
Systematic Name
7,8-bis(oxidanyl)-2-phenyl-chromen-4-one
Synonyms
  • Tropoflavin
LM ID
LMPK12113415
Formula
C15H10O4
Exact Mass
Calculate m/z
254.05791
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
Godmania aesculifolia (#429669)
Magnoliopsida (#3398)
Baicalein, 7,8-Dihydroxyflavone and Myricetin as Potent Inhibitors of Human Ornithine Decarboxylase.,
Nutrients, 2020
Pubmed ID: 33348871

String Representations

InChiKey (Click to copy)
COCYGNDCWFKTMF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H
SMILES (Click to copy)
C1=CC(O)=C(O)C2OC(C3=CC=CC=C3)=CC(=O)C1=2

Other Databases

Wikipedia
Tropoflavin
CHEBI ID
140464
PubChem CID
1880
PDB ID
UK9

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

Admin

Created at
12th Jun 2024
Updated at
12th Jun 2024