1.0
2010-04-08 22:11:45 UTC
2019-11-26 03:11:23 UTC
FDB015294
alpha-Cubebene
Constituent of oil of cubeb pepper (Piper cubeba). alpha-Cubebene is found in many foods, some of which are parsley, ginger, nutmeg, and lemon balm.
(-)-α-cubebene
(-)-alpha-Cubebene
α-cubeben
α-cubebene
α-cubenene
a-Cubebene
alpha-Cubeben
alpha-Cubebene
alpha-Cubenene
C15H24
204.3511
204.187800768
4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0¹,⁵]dec-3-ene
7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]dec-3-ene
17699-14-8
CC(C)C1CCC(C)C23CC=C(C)C2C13
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3
XUEHVOLRMXNRKQ-UHFFFAOYSA-N
belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
Sesquiterpenoids
Organic compounds
Lipids and lipid-like molecules
Prenol lipids
Sesquiterpenoids
Aliphatic homopolycyclic compounds
Branched unsaturated hydrocarbons
Cyclic olefins
Polycyclic hydrocarbons
Unsaturated aliphatic hydrocarbons
Aliphatic homopolycyclic compound
Branched unsaturated hydrocarbon
Cubebane sesquiterpenoid
Cyclic olefin
Hydrocarbon
Olefin
Polycyclic hydrocarbon
Sesquiterpenoid
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
a sesquiterpenoid
logp
3.88
ALOGPS
logs
-5.05
ALOGPS
solubility
1.84e-03 g/l
ALOGPS
logp
4.09
ChemAxon
iupac
4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0¹,⁵]dec-3-ene
ChemAxon
average_mass
204.3511
ChemAxon
mono_mass
204.187800768
ChemAxon
smiles
CC(C)C1CCC(C)C23CC=C(C)C2C13
ChemAxon
formula
C15H24
ChemAxon
inchi
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3
ChemAxon
inchikey
XUEHVOLRMXNRKQ-UHFFFAOYSA-N
ChemAxon
polar_surface_area
0
ChemAxon
refractivity
65.77
ChemAxon
polarizability
26.33
ChemAxon
rotatable_bond_count
1
ChemAxon
acceptor_count
0
ChemAxon
donor_count
0
ChemAxon
physiological_charge
0
ChemAxon
formal_charge
0
ChemAxon
Specdb::CMs
16668
Specdb::MsMs
7793
Specdb::MsMs
7794
Specdb::MsMs
7795
Specdb::MsMs
14465
Specdb::MsMs
14466
Specdb::MsMs
14467
HMDB36413
#<Reference:0x0000561271544168>
Blackberry
Type 1
specific
Rubus
Cloves
Type 1
specific
Syzygium aromaticum
219868
Dill
Type 1
specific
Anethum graveolens
40922
Evergreen blackberry
Type 1
specific
Rubus laciniatus
German camomile
Type 1
specific
Matricaria recutita
127986
Ginger
Type 1
specific
Zingiber officinale
94328
Herbs and Spices
Unknown
generic
Lemon
Type 1
specific
Citrus limon
2708
Lemon balm
Type 1
specific
Melissa officinalis
39338
1.95
1.95
1.95
mg/100 g
Mandarin orange (Clementine, Tangerine)
Type 1
specific
Citrus reticulata
85571
Nutmeg
Type 1
specific
Myristica fragrans
51089
Parsley
Type 1
specific
Petroselinum crispum
4043
0.186
0.186
0.186
mg/100 g
Pepper (Spice)
Type 1
specific
Piper nigrum
13216
Pot marjoram
Type 1
specific
Origanum onites
452416
0.01
0.01
0.01
mg/100 g
Roman camomile
Type 1
specific
Chamaemelum nobile
99037
Star anise
Type 1
specific
Illicium verum
124778
20.0
20.0
20.0
mg/100 g
Sweet basil
Type 1
specific
Ocimum basilicum
39350
Sweet bay
Type 1
specific
Laurus nobilis
85223
Sweet orange
Type 1
specific
Citrus sinensis
2711
herb
herbal
wax
waxy