Structure database (LMSD)

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LM IDLMPK15030034
Common Name5-((4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaen-1-yl)resorcinol
Systematic Name5-((4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaen-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
366.2559 (neutral)    Calculate m/z:
FormulaC25H34O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID15719520
InChIKeyRSALAWVRGTZYEZ-JLNKQSITSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C25H34O2/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/h3-4,6-7,9-10,12-13,15-16,20-22,26-27H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6
-,10-9-,13-12-,16-15-
SMILESC1(O)C=C(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings1Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
414.26Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP7.17Molar
Refractivity
117.17