Structure database (LMSD)

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LM IDLMPK12140010
Common NameIsoderricidin
Systematic Name-
Synonyms-
Exact Mass
308.1412 (neutral)    Calculate m/z:
FormulaC20H20O3
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID12310896
METABOLOMICS IDFL2F19NI0001
InChIKeyGIXIYAFVCREOAY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H20O3/c1-14(2)10-11-22-16-8-9-17-18(21)13-19(23-20(17)12-16)15-6-4-3
-5-7-15/h3-10,12,19H,11,13H2,1-2H3
SMILESC1(OC/C=C(\C)/C)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings3Aromatic Rings2Rotatable Bonds4
 van der Waals
Molecular Volume
300.93Topological Polar
Surface Area
37.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP5.02Molar
Refractivity
90.62