Humulene
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Molecular Identity
Humulene
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
PubChem CID: 5281520
(1E,4E,8E)-alpha-humulene is the (1E,4E,8E)-isomer of alpha-humulene.
2D Structure
Properties
C15H24
Molecular Formula
204.35
Molecular Weight
g/mol
204.1878
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
0
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
0
H-Bond Acceptors
287
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Humulenealpha-HumuleneALPHA-CARYOPHYLLENE6753-98-6(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-(1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene54W56MD2WDDTXSID30858793CHEBI:49311RefChem:6537CHEBI:49289DTXCID40809539229-816-73,7,10-Humulatriene
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Humulene
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