Structure database (LMSD)

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LM IDLMPK15030042
Common Name5-(2R-hydroxy-pentadecyl)resorcinol
Systematic Name5-(2R-hydroxy-pentadecyl)-benzene-1-3-diol
Synonyms-
Exact Mass
336.2664 (neutral)    Calculate m/z:
FormulaC21H36O3
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID71414613
InChIKeyIYXFMXYFVCIIAN-LJQANCHMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)14-18-15-20(23)17-21(24)16-18/h15-17,19,22-24H,2-14H2,1H3/t19-/m1/s1
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SMILES
C1(O)C=C(C[C@H](O)CCCCCCCCCCCCC)C=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 Atoms24Rings1Aromatic Rings1Rotatable Bonds14
 van der Waals
Molecular Volume
367.05Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP5.99Molar
Refractivity
101.07