Structure Database (LMSD)

Common Name
5-((Z)-nonadec-8-en-1-yl)resorcinol
Systematic Name
(Z)-5-(nonadec-8-en-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030031
Formula
C25H42O2
Exact Mass
Calculate m/z
374.31848
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

String Representations

InChiKey (Click to copy)
ACEHMJPBIOAJFL-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C25H42O2/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(27)21-23/h11-12,20-22,26-27H,2-10,13-19H2,1H3/b12-11-
SMILES (Click to copy)
C1(O)C=C(CCCCCCC/C=C\CCCCCCCCCC)C=C(O)C=1

Other Databases

CHEBI ID
186723
PubChem CID
126457710

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 17
Van der Waals Molecular Volume 424.82
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 8.07
Molar Refractivity 117.54

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Updated at
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