Structure Database (LMSD)

Common Name
beta-Cadinene
Systematic Name
Synonyms
LM ID
LMPR0103330003
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
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]
Cadinane sesquiterpenoids [PR010333]

String Representations

InChiKey (Click to copy)
USDOQCCMRDNVAH-KKUMJFAQSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC(=CC[C@@]1([H])C(C)=CC[C@H]2C(C)C)C

Other Databases

KEGG ID
C09625
CHEBI ID
27723
PubChem CID
10657

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 238.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.58
Molar Refractivity 66.67

Admin

Created at
-
Updated at
-