Structure Database (LMSD)

OH
Common Name
3-pentadecylphenol
Systematic Name
3-pentadecylphenol
Synonyms
LM ID
LMPK15010004
Formula
C21H36O
Exact Mass
Calculate m/z
304.276615
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl phenols and derivatives [PK1501]

String Representations

InChiKey (Click to copy)
PTFIPECGHSYQNR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
SMILES (Click to copy)
C1C=C(CCCCCCCCCCCCCCC)C=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhus (#4012)
Magnoliopsida (#3398)
Cardanols from leaves of Rhus thyrsiflora.,
Planta Med, 2001
Pubmed ID: 11488469

Other Databases

HMDB ID
HMDB0033872
CHEBI ID
174189
PubChem CID
68146

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 349.47
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.03
Molar Refractivity 97.51

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Updated at
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