Structure Database (LMSD)

Common Name
(-)-Illudin M
Systematic Name
(-)-1α,7β-dihydroxy-2,9-illudadien-8-one
Synonyms
LM ID
LMPR0103590001
Formula
C15H20O3
Exact Mass
Calculate m/z
248.141245
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)
QVMDIQLUNODCTG-OCCSQVGLSA-N
InChi (Click to copy)
InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3/t12-,14+/m1/s1
SMILES (Click to copy)
[C@@]1(C)(O)C(=O)C2=CC(C)(C)[C@H](O)C2=C(C)C21CC2

Other Databases

Wikipedia
Illudin_M
KEGG ID
C09687
CHEBI ID
5866
PubChem CID
344199
Cayman ID
22062

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 249.43
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.32
Molar Refractivity 68.89

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Created at
-
Updated at
14th Nov 2024