Structure Database (LMSD)

Common Name
(+)-Khusimol
Systematic Name
(+)-6(13)-zizene-12-ol
Synonyms
LM ID
LMPR0103700004
Status
Active
Exact Mass
Calculate m/z
220.182715
Formula
C15H24O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Zizaane and prezizaane sesquiterpenoids [PR010370]

String Representations

InChiKey (Click to copy)
OOYRHNIVDZZGQV-ZRHOGWTASA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3/t11?,12-,13-,15+/m1/s1
SMILES (Click to copy)

References

Other Databases

PubChem CID
42608186

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 237.13
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.67
Molar Refractivity 66.48

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Updated at
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