Structure Database (LMSD)

Common Name
3-methylflavone-8-carboxylic acid
Systematic Name
3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid
Synonyms
LM ID
LMPK12113395
Formula
C17H12O4
Exact Mass
Calculate m/z
280.07356
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
KMMBBZOSQNLLMN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)
SMILES (Click to copy)
C12C(=CC=CC=1C(=O)C(=C(C1C=CC=CC=1)O2)C)C(O)=O

Other Databases

CHEBI ID
61237
PubChem CID
77016

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 244.28
Topological Polar Surface Area 67.51
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.37
Molar Refractivity 79.72

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Updated at
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