Structure Database (LMSD)

Common Name
Hydroxytyrosyl Oleate
Systematic Name
2-(3,4-dihydroxyphenyl)ethyl-octadec-9Z-enoate
Synonyms
  • Cis-Hydroxytyrosol Oleate
  • Oleic acid 3,4-dihydroxyphenethyl ester
LM ID
LMFA07011179
Formula
C26H42O4
Exact Mass
Calculate m/z
418.30831
Sum Composition
WE 26:5;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Olea europaea (#4146)
Magnoliopsida (#3398)
Identification of Tyrosyl Oleate as a Novel Olive Oil Lipophenol with Proliferative and Antioxidant Properties in Human Keratinocytes.,
Antioxidants (Basel), 2021
Pubmed ID: 34209968

String Representations

InChiKey (Click to copy)
HYIZEYFHDOFSNE-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)30-21-20-23-18-19-24(27)25(28)22-23/h9-10,18-19,22,27-28H,2-8,11-17,20-21H2,1H3/b10-9-
SMILES (Click to copy)
O(CCC1=CC(O)=C(O)C=C1)C(=O)CCCCCCC/C=C\CCCCCCCC

Other Databases

PubChem CID
10173284

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 1
Rotatable Bonds 19
Van der Waals Molecular Volume 457.06
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.51
Molar Refractivity 124.38

Admin

Created at
7th Aug 2021
Updated at
7th Aug 2021