Structure Database (LMSD)

Common Name
(-)-Illudin S
Systematic Name
(-)-1α,7β,12-trihydroxy-2,9-illudadien-8-one
Synonyms
LM ID
LMPR0103590002
Status
Active
Exact Mass
Calculate m/z
264.13616
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

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

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Created at
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Updated at
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