Structure database (LMSD)

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LM IDLMPK15030033
Common Name5-((7Z,10Z,13Z,16Z)-nonadeca-7,10,13,16-tetraen-1-yl)resorcinol
Systematic Name5-((7Z,10Z,13Z,16Z)-nonadeca-7,10,13,16-tetraen-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
368.2715 (neutral)    Calculate m/z:
FormulaC25H36O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID15719519
InChIKeyJTGHOMGAWPTPRU-LTKCOYKYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C25H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(2
7)21-23/h3-4,6-7,9-10,12-13,20-22,26-27H,2,5,8,11,14-19H2,1H3/b4-3-,7-6-,10-9-,1
3-12-
SMILESC1(O)C=C(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings1Aromatic Rings1Rotatable Bonds14
 van der Waals
Molecular Volume
416.90Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP7.40Molar
Refractivity
117.26