Structure Database (LMSD)

Common Name
Dihydromyoporone
Systematic Name
1-(furan-3-yl)-6-hydroxy-4,8-dimethylnonan-1-one
Synonyms
LM ID
LMFA05000650
Formula
C15H24O3
Exact Mass
Calculate m/z
252.172545
Sum Composition
FOH 15:4;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
BROZQMCDYUJKFQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H24O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-7,10-12,14,16H,4-5,8-9H2,1-3H3
SMILES (Click to copy)
C1(C(=O)CCC(C)CC(CC(C)C)O)C=COC=1

References

Other Databases

HMDB ID
HMDB0035729
CHEBI ID
174340
PubChem CID
51551

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 1
Rotatable Bonds 8
Van der Waals Molecular Volume 263.25
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.96
Molar Refractivity 72.03

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Updated at
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