Structure Database (LMSD)

Common Name
(+)-Mayurone
Systematic Name
(+)-15-nor-4-thujopsen-3-one
Synonyms
LM ID
LMPR0103860002
Formula
C14H22O
Exact Mass
Calculate m/z
206.167065
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]
Thujopsane sesquiterpenoids [PR010386]

String Representations

InChiKey (Click to copy)
OZVBAFBRWKCCHV-BPNCWPANSA-N
InChi (Click to copy)
InChI=1S/C14H22O/c1-12(2)6-4-7-13(3)8-5-11(15)10-9-14(10,12)13/h10H,4-9H2,1-3H3/t10-,13-,14-/m0/s1
SMILES (Click to copy)
C1C[C@@]2(C)CCC(=O)[C@@H]3C[C@]23C(C)(C)C1

Other Databases

CHEBI ID
138419
PubChem CID
13154078

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 219.83
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.57
Molar Refractivity 60.52

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Created at
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Updated at
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