Structure Database (LMSD)

Common Name
3-tridecylphenol
Systematic Name
3-tridecylphenol
Synonyms
LM ID
LMPK15010003
Formula
C19H32O
Exact Mass
Calculate m/z
276.245315
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
IFGRPNIAGKTMCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(20)17-18/h13,15-17,20H,2-12,14H2,1H3
SMILES (Click to copy)
C1C=C(CCCCCCCCCCCCC)C=C(O)C=1

Other Databases

CHEBI ID
186150
PubChem CID
155892

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 314.87
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.25
Molar Refractivity 88.27

Admin

Created at
-
Updated at
-