Structure Database (LMSD)

O
Common Name
Pinocarvone
Systematic Name
Synonyms
LM ID
LMPR0102090023
Formula
C10H14O
Exact Mass
Calculate m/z
150.104465
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]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
TZDMGBLPGZXHJI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3
SMILES (Click to copy)
C12C(=C)C(CC(C1)C2(C)C)=O

References

Other Databases

KEGG ID
C09884
HMDB ID
HMDB0035761
CHEBI ID
28996
PubChem CID
121719

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 156.55
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.18
Molar Refractivity 44.14

Admin

Created at
-
Updated at
-