Structure database (LMSD)

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LM IDLMPK12130048
Common Name-
Systematic Name6,3',4'-Trihydroxy-4-methoxy-7-methylaurone
Synonyms-
Exact Mass
314.0790 (neutral)    Calculate m/z:
FormulaC17H14O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607778
METABOLOMICS IDFL1ABCNM0002
InChIKeyPTOZSWMIAUAQJP-MKMNVTDBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H14O6/c1-8-11(19)7-13(22-2)15-16(21)14(23-17(8)15)6-9-3-4-10(18)12(2
0)5-9/h3-7,18-20H,1-2H3/b14-6+
SMILESC1(O)C(C)=C2O/C(=C/C3C=CC(O)=C(O)C=3)/C(=O)C2=C(OC)C=1
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