Structure Database (LMSD)
Common Name
4-methoxy-alpha-zearalenol
Systematic Name
Synonyms
3D model of 4-methoxy-alpha-zearalenol
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)
JVYBAZCPWDLGCX-LQTBYQGRSA-N
InChi (Click to copy)
InChI=1S/C19H26O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,8,11-13,15,20-21H,3,5-7,9-10H2,1-2H3/b8-4+/t13-,15+/m0/s1
SMILES (Click to copy)
C1(O)=CC(OC)=CC2C=CCCC[C@@H](O)CCC[C@H](C)OC(=O)C1=2
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Chaetosphaeronema sp.
(#1755421)
Dothideomycetes
(#147541)
A new resorcylic acid lactone from the endophytic fungus Chaetosphaeronema sp.,
J Asian Nat Prod Res, 2024
J Asian Nat Prod Res, 2024
Pubmed ID:
38629616
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
2
Aromatic Rings
1
Rotatable Bonds
1
Van der Waals Molecular Volume
332.39
Topological Polar Surface Area
78.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
4.25
Molar Refractivity
93.30
Admin
Created at
18th Apr 2024
Updated at
18th Apr 2024