Structure database (LMSD)

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LM IDLMPK12140017
Common NameMaximaflavanone A
Systematic Name-
Synonyms-
Exact Mass
374.1882 (neutral)    Calculate m/z:
FormulaC25H26O3
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID11100822
METABOLOMICS IDFL2F19NP0003
InChIKeyLGHPWLOMYSXCFG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H26O3/c1-16(2)10-11-18-14-20-21(26)15-22(17-8-6-5-7-9-17)27-24(20)19-12-13-25(3,4)28-23(18)19/h5-10,12-14,22H,11,15H2,1-4H3
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SMILES
C1(C/C=C(\C)/C)C2OC(C)(C)C=CC=2C2OC(C3C=CC=CC=3)CC(=O)C=2C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
372.43Topological Polar
Surface Area
39.67Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP6.37Molar
Refractivity
112.59