Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12110941
Common NameNorartocarpetin
Systematic Name-
Synonyms-
Exact Mass
286.0477 (neutral)    Calculate m/z:
FormulaC15H10O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5481970
METABOLOMICS IDFL3FALNS0002
HMDB IDHMDB0030543
InChIKeyZSYPIPFQOQGYHH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13
/h1-6,16-19H
SMILESC1(O)=CC2OC(C3C(O)=CC(O)=CC=3)=CC(=O)C=2C(O)=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
229.90Topological Polar
Surface Area
111.13Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.18Molar
Refractivity
74.69