Structure Database (LMSD)

OH
Common Name
(+)-8-Daucen-5-ol
Systematic Name
Synonyms
LM ID
LMPR0103550001
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Daucane sesquiterpenoids [PR010355]

String Representations

InChiKey (Click to copy)
XZYQCFABZDVOPN-ILXRZTDVSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3/t13-,14+,15+/m1/s1
SMILES (Click to copy)
[C@]12(O)CCC(C)=CC[C@@]1(C)CC[C@@H]2C(C)C

References

Other Databases

KEGG ID
C09628
CHEBI ID
3431
PubChem CID
442347

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 249.49
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.21
Molar Refractivity 68.74

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Created at
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Updated at
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