Structure Database (LMSD)
Common Name
6-(13-hydroxytetradecyl)benzene-1,2,4-triol
Systematic Name
14-(2',3',5'-Trihydroxyphenyl)tetradecan-2-ol
Synonyms
3D model of 6-(13-hydroxytetradecyl)benzene-1,2,4-triol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
AAMYMLZZYOONFN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/c1-16(21)12-10-8-6-4-2-3-5-7-9-11-13-17-14-18(22)15-19(23)20(17)24/h14-16,21-24H,2-13H2,1H3
SMILES (Click to copy)
C1(O)=CC(O)=CC(CCCCCCCCCCCCC(O)C)=C1O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Chrysosporium sp.
(#40412)
Eurotiomycetes
(#147545)
14-(2 ',3 ',5 '-Trihydroxyphenyl)tetradecan-2-ol, a novel acetylcholinesterase inhibitor from Chrysosporium sp.,
J Antibiot (Tokyo), 2001
J Antibiot (Tokyo), 2001
Pubmed ID:
11776443
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
1
Rotatable Bonds
13
Van der Waals Molecular Volume
358.54
Topological Polar Surface Area
80.92
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
5.30
Molar Refractivity
98.12
Admin
Created at
16th Jun 2022
Updated at
16th Jun 2022