Structure Database (LMSD)

Common Name
alpha-zearalenol
Systematic Name
Synonyms
LM ID
LMPK15030066
Formula
C18H24O5
Exact Mass
Calculate m/z
320.162375
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

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
Pubmed ID: 38629616

String Representations

InChiKey (Click to copy)
FPQFYIAXQDXNOR-QDKLYSGJSA-N
InChi (Click to copy)
InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1
SMILES (Click to copy)
C1(O)=CC(O)=CC2C=CCCC[C@@H](O)CCC[C@H](C)OC(=O)C1=2

Other Databases

KEGG ID
C14750
CHEBI ID
35065
PubChem CID
5284645
PDB ID
36J

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 1
Rotatable Bonds
Van der Waals Molecular Volume 315.09
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.94
Molar Refractivity 88.42

Admin

Created at
18th Apr 2024
Updated at
18th Apr 2024