Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK13040011
Common Name2-Hydroxychrysophanol
Systematic Name-
Synonyms-
Exact Mass
270.0528 (neutral)    Calculate m/z:
FormulaC15H10O5
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassAnthracenes and phenanthrenes [PK1304]
PubChem CID442759
KEGG IDC10379
HMDB IDHMDB0033790
CHEBI ID7635
InChIKeyCQNVSNFEXPKHGW-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-
5,16-17,20H,1H3
SMILESC12C=C(C(O)=C(O)C=1C(=O)C1=C(C=CC=C1O)C2=O)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings2Rotatable Bonds0
 van der Waals
Molecular Volume
232.01Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP1.89Molar
Refractivity
69.48