Structure Database (LMSD)

Common Name
Ipomeamaronol
Systematic Name
1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-5-hydroxy-4-methylpentan-2-one
Synonyms
LM ID
LMFA05000668
Formula
C15H22O4
Exact Mass
Calculate m/z
266.15181
Sum Composition
FOH 15:5;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
LKVKWNDXOWODLO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H22O4/c1-11(9-16)7-13(17)8-15(2)5-3-14(19-15)12-4-6-18-10-12/h4,6,10-11,14,16H,3,5,7-9H2,1-2H3
SMILES (Click to copy)
C1C(C2OC(C)(CC(=O)CC(C)CO)CC2)=COC=1

Other Databases

HMDB ID
HMDB0038148
CHEBI ID
168579
PubChem CID
213591

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 2
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 259.68
Topological Polar Surface Area 61.74
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.44
Molar Refractivity 71.67

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Updated at
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