LIPID MAPS

Structure Database (LMSD)

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Common Name

Radicicol

Systematic Name

5-chloro-6-(7,8-epoxy-10-hydroxy-2-oxo-3,5-undecadienyl)-β-resorcylic acid mu-lactone

Synonyms

Monorden

LM ID

LMPK15030067

Formula

C₁₈H₁₇O₆Cl

Exact Mass

Calculate m/z

364.071368

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ilyonectria aff. radicicola (#2478822)

Sordariomycetes (#147550)

The constitution of radicicol,
Tetrahedron Letts, 1964

DOI: 10.1016/0040-4039(64)80029-0

String Representations

InChiKey (Click to copy)

WYZWZEOGROVVHK-GTMNPGAYSA-N

InChi (Click to copy)

InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1

SMILES (Click to copy)

C1(O)=CC(O)=C(Cl)C2CC(=O)C=CC=C[C@H]3O[C@@H]3C[C@H](OC(=O)C1=2)C

Other Databases

CHEBI ID

556075

PubChem CID

6323491

PDB ID

RDC

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 3

Aromatic Rings 1

Rotatable Bonds

Van der Waals Molecular Volume 321.45

Topological Polar Surface Area 98.43

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 6

logP 3.55

Molar Refractivity 91.46

Admin

Created at

7th Jul 2025

Updated at