Structure database (LMSD)

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LM IDLMPK12140011
Common NameOvaliflavanone A
Systematic Name-
Synonyms-
Exact Mass
376.2038 (neutral)    Calculate m/z:
FormulaC25H28O3
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID11111594
METABOLOMICS IDFL2F19NI0002
InChIKeyQRCTUFJCBXMBPP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H28O3/c1-16(2)10-12-19-14-21-22(26)15-23(18-8-6-5-7-9-18)28-25(21)20
(24(19)27)13-11-17(3)4/h5-11,14,23,27H,12-13,15H2,1-4H3
SMILESC1(O)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=C1C/C=C(\C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings3Aromatic Rings2Rotatable Bonds5
 van der Waals
Molecular Volume
384.79Topological Polar
Surface Area
48.60Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.12Molar
Refractivity
113.14