Structure Database (LMSD)
Common Name
Myrothecol A
Systematic Name
3-(2R-hydroxyheptadecyl)-5-methoxyphenol
Synonyms
- 1-O-methyl-virenol C
No other lipid differing only in stereochemistry/bond geometry found
3D model of Myrothecol A
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)
UBRAADIEZVEAJN-JOCHJYFZSA-N
InChi (Click to copy)
InChI=1S/C24H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)17-21-18-23(26)20-24(19-21)27-2/h18-20,22,25-26H,3-17H2,1-2H3/t22-/m1/s1
SMILES (Click to copy)
C1(O)C=C(C[C@H](O)CCCCCCCCCCCCCCC)C=C(OC)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
27
Rings
1
Aromatic Rings
1
Rotatable Bonds
17
Van der Waals Molecular Volume
418.95
Topological Polar Surface Area
49.69
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
7.07
Molar Refractivity
115.19
Admin
Created at
12th May 2020
Updated at
12th May 2020