Structure Database (LMSD)

Common Name
Ishwarol
Systematic Name
Synonyms
LM ID
LMPR0103840001
Formula
C15H24O
Exact Mass
Calculate m/z
220.182715
Status
Active
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]
Ishwarane sesquiterpenoids [PR010384]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cedrelopsis grevei (#864332)
Magnoliopsida (#3398)
Natural sesquiterpenoids.,
Nat Prod Rep, 2006
Pubmed ID: 17119641

String Representations

InChiKey (Click to copy)
VMCKVEZJNIGBQQ-DTZPQEEQSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-9-4-5-12(16)15-7-11-10(6-14(9,15)3)13(11,2)8-15/h9-12,16H,4-8H2,1-3H3/t9-,10?,11?,12?,13?,14+,15?/m1/s1
SMILES (Click to copy)

Other Databases

CHEBI ID
195994
PubChem CID
42608203

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 223.61
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.51
Molar Refractivity 64.39

Admin

Created at
-
Updated at
23rd Jul 2021