Structure Database (LMSD)

Common Name
5-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)resorcinol
Systematic Name
5-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030022
Status
Active
Exact Mass
Calculate m/z
314.22458
Formula
C21H30O2
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MDLMOL SDF CSV TSV
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Main

Classification

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

String Representations

InChiKey (Click to copy)
OOXBEOHCOCMKAC-UTOQUPLUSA-N
InChi (Click to copy)
1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h2,4-5,7-8,16-18,22-23H,1,3,6,9-15H2/b5-4-,8-7-
SMILES (Click to copy)
C1(O)C=C(CCCCCCC/C=C\C/C=C\CC=C)C=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anacardium occidentale (#171929)
Magnoliopsida (#3398)
Antibacterial agents from the cashew Anacardium occidentale (Anacardiaceae) nut shell oil,
J. Agric. Food Chem., 1991

Other Databases

CHEBI ID
52680
PubChem CID
13259919
Cayman ID
23374

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 350.34
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.06
Molar Refractivity 98.89

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Updated at
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