Structure Database (LMSD)
Common Name
5-(2-oxo-heptadecyl)resorcinol
Systematic Name
5-(2-oxo-hydroxyheptadecyl)-benzene-1-3-diol
Synonyms
- 1-(3,5-Dihydroxyphenyl)-2-heptadecanone
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JJYLJNSNDWOJGU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)16-20-17-22(25)19-23(26)18-20/h17-19,25-26H,2-16H2,1H3
SMILES (Click to copy)
C1(O)C=C(CC(=O)CCCCCCCCCCCCCCC)C=C(O)C=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Myrothecium sp.
(#1756106)
Sordariomycetes
(#147550)
Myrothecol A, a new alkylresorcinol with cytotoxicity from Myrothecium sp.,
Nat Prod Res, 2020
Nat Prod Res, 2020
Pubmed ID:
32380855
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
1
Rotatable Bonds
16
Van der Waals Molecular Volume
399.01
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.69
Molar Refractivity
108.79
Admin
Created at
12th May 2020
Updated at
12th May 2020