Structure database (LMSD)

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LM IDLMPK12130047
Common Name-
Systematic Name6,3',4'-Trihydroxy-4-methoxy-5-methylaurone
Synonyms-
Exact Mass
314.0790 (neutral)    Calculate m/z:
FormulaC17H14O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607777
METABOLOMICS IDFL1ABCNM0001
InChIKeyAPQPPUISLRYCEH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H14O6/c1-8-11(19)7-13-15(17(8)22-2)16(21)14(23-13)6-9-3-4-10(18)12(2
0)5-9/h3-7,18-20H,1-2H3
SMILESC12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(O)C(C)=C2OC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings3Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
275.40Topological Polar
Surface Area
98.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP2.74Molar
Refractivity
82.10