Structure Database (LMSD)

Common Name
(-)-Illudin S
Systematic Name
(-)-1α,7β,12-trihydroxy-2,9-illudadien-8-one
Synonyms
LM ID
LMPR0103590002
Formula
C15H20O4
Exact Mass
Calculate m/z
264.13616
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Illudane and protoilludane sesquiterpenoids [PR010359]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Omphalotus nidiformis (#71963)
Agaricomycetes (#155619)
Identification of illudins in Omphalotus nidiformis and Omphalotus olivascens var. indigo by column liquid chromatography-atmospheric pressure chemical ionization tandem mass spectrometry.,
J Chromatogr A, 1999
Pubmed ID: 10070774

String Representations

InChiKey (Click to copy)
DDLLIYKVDWPHJI-RDBSUJKOSA-N
InChi (Click to copy)
InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1
SMILES (Click to copy)
[C@@]1(C)(O)C(=O)C2=C[C@](CO)(C)[C@H](O)C2=C(C)C21CC2

Other Databases

Wikipedia
Illudin_S
KEGG ID
C09688
CHEBI ID
5867
PubChem CID
344200
Cayman ID
17451

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 258.22
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 1.57
Molar Refractivity 70.79

Admin

Created at
-
Updated at
14th Nov 2024