Structure Database (LMSD)

Common Name
10-Hydroxy-isolaurene
Systematic Name
Synonyms
LM ID
LMPR0103170001
Formula
C15H20O
Exact Mass
Calculate m/z
216.151415
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Laurane sesquiterpenoids [PR010317]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Laurencia okamurae (#2510711)
Florideophyceae (#2806)
Natural sesquiterpenoids.,
Nat Prod Rep, 2006
Pubmed ID: 17119641

String Representations

InChiKey (Click to copy)
AGMIVVAYCIYLIV-OAHLLOKOSA-N
InChi (Click to copy)
InChI=1S/C15H20O/c1-10-7-8-15(4,12(10)3)13-6-5-11(2)14(16)9-13/h5-6,9,16H,7-8H2,1-4H3/t15-/m1/s1
SMILES (Click to copy)
C1(O)=C(C)C=CC([C@]2(C)CCC(C)=C2C)=C1

Other Databases

PubChem CID
21778220

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 230.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.09
Molar Refractivity 67.80

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Created at
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Updated at
23rd Jul 2021