Structure Database (LMSD)

Common Name
alpha-curcumene
Systematic Name
1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene
Synonyms
LM ID
LMPR0103060015
Formula
C15H22
Exact Mass
Calculate m/z
202.17215
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]
Bisabolane sesquiterpenoids [PR010306]

String Representations

InChiKey (Click to copy)
VMYXUZSZMNBRCN-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1
SMILES (Click to copy)
C1=CC([C@@H](C)CC/C=C(\C)/C)=CC=C1C

Other Databases

PubChem CID
3083834

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 234.24
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.84
Molar Refractivity 68.26

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Updated at
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