Structure Database (LMSD)
Common Name
beta-Caryophyllene
Systematic Name
Synonyms
3D model of beta-Caryophyllene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
NPNUFJAVOOONJE-GFUGXAQUSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
SMILES (Click to copy)
[C@]12([H])C(C[C@]1([H])C(=C)CCC=C(C)CC2)(C)C
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
238.06
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
4.73
Molar Refractivity
66.74
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Created at
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Updated at
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