Structure Database (LMSD)

Common Name
Carvacrol
Systematic Name
Synonyms
LM ID
LMPR0102090017
Status
Active
Exact Mass
Calculate m/z
150.104465
Formula
C10H14O
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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)
RECUKUPTGUEGMW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
SMILES (Click to copy)
C1(C(C)C)=CC=C(C)C(O)=C1

References

Other Databases

Wikipedia
Carvacrol
KEGG ID
C09840
HMDB ID
HMDB0035770
CHEBI ID
3440
PubChem CID
10364

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 1
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 159.17
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.82
Molar Refractivity 46.93

Admin

Created at
-
Updated at
-