Structure Database (LMSD)
Common Name
Ilyoresorcy A
Systematic Name
(4R,6E,12S)-17-chloro-12,18,20-trihydroxy-4-methyl-3-oxabicyclo[14.4.0]icosa-1(16),6,17,19-tetraene-2,14-dione
Synonyms
LM ID
LMPK15030078
Formula
C20H25O6Cl
Exact Mass
Calculate m/z
396.133968
Status
Curated
3D model of Ilyoresorcy A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Ilyonectria
(#2630964)
Sordariomycetes
(#147550)
Resorcylic Acid Lactones from an Ilyonectria sp.,
J Nat Prod, 2020
J Nat Prod, 2020
Pubmed ID:
32323537
String Representations
InChiKey (Click to copy)
HFWXCJKSHYWBSP-CBSYICTRSA-N
InChi (Click to copy)
InChI=1S/C20H25ClO6/c1-12-7-5-3-2-4-6-8-13(22)9-14(23)10-15-18(20(26)27-12)16(24)11-17(25)19(15)21/h3,5,11-13,22,24-25H,2,4,6-10H2,1H3/b5-3+/t12-,13+/m1/s1
SMILES (Click to copy)
C1(O)=CC(O)=C(Cl)C2CC(C[C@@H](O)CCCCC=CC[C@H](OC(=O)C1=2)C)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
2
Aromatic Rings
1
Rotatable Bonds
Van der Waals Molecular Volume
371.05
Topological Polar Surface Area
106.13
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
4.25
Molar Refractivity
102.24
Admin
Created at
18th Jul 2025
Updated at
18th Jul 2025