Structure database (LMSD)

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LM IDLMPK15050003
Common Name2-hydroxy-5-methoxy-3-(2R-acetoxy-pentadecyl)-1,4-benzoquinone
Systematic Name2-hydroxy-5-methoxy-3-(2R-acetoxy-pentadecyl)-1,4-benzoquinone
Synonyms-
Exact Mass
422.2668 (neutral)    Calculate m/z:
FormulaC24H38O6
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl hydroquinones and derivatives [PK1505]
PubChem CID102163922
InChIKeyUXLMJHNFDRMGPW-LJQANCHMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C24H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(30-18(2)25)16-20-23(27)21(26)17-22(29-3)24(20)28/h17,19,27H,4-16H2,1-3H3/t19-/m1/s1
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SMILES
C1(OC)C(=O)C(C[C@H](OC(C)=O)CCCCCCCCCCCCC)=C(O)C(=O)C=1
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StatusActive
ReferencesCytotoxic Alkyl Benzoquinones and Alkyl Phenols From Ardisia Virens
Phytochemistry 2009
DOI: 10.1016/j.phytochem.2009.09.006
PMID: 19833361
Calculated physicochemical properties (?):
 Heavy Atoms30Rings1Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
450.94Topological Polar
Surface Area
89.90Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP5.79Molar
Refractivity
116.52