Structure Database (LMSD)

Common Name
14-Hydroxy-modhephene
Systematic Name
Synonyms
LM ID
LMPR0103780002
Formula
C15H24O
Exact Mass
Calculate m/z
220.182715
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pluchea sericea (#41624)
Magnoliopsida (#3398)
Natural sesquiterpenoids.,
Nat Prod Rep, 2000
Pubmed ID: 11072895

String Representations

InChiKey (Click to copy)
PKIVAOLKVPUUIW-PMOUVXMZSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-11-5-8-14-6-4-7-15(11,14)12(2)9-13(14,3)10-16/h9,11,16H,4-8,10H2,1-3H3/t11-,13+,14-,15+/m0/s1
SMILES (Click to copy)
[C@]123C(C)=C[C@](C)(CO)[C@]1(CCC2)CC[C@@H]3C

Other Databases

CHEBI ID
196000
PubChem CID
42608196

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 3.82
Molar Refractivity 66.55

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Updated at
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