Structure Database (LMSD)

OH O
Common Name
Myrtenic acid
Systematic Name
Synonyms
LM ID
LMPR0102120024
Formula
C10H14O2
Exact Mass
Calculate m/z
166.09938
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]
C10 isoprenoids (monoterpenes) [PR0102]
Bicyclic monoterpenoids [PR010212]

String Representations

InChiKey (Click to copy)
XPHVDOXZJRTIMV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)
SMILES (Click to copy)
C12C(C)(C)C(C1)CC=C2C(=O)O

References

Other Databases

KEGG ID
C11940
CHEBI ID
25459
PubChem CID
86840

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 165.34
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.06
Molar Refractivity 45.71

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Updated at
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