1.0 2010-04-08 22:11:35 UTC 2019-11-26 03:11:06 UTC FDB015006 S-beta-Bisabolene Constituent of the essential oils of bergamot, lemon and wild carrot. S-beta-Bisabolene is found in many foods, some of which are roman camomile, anise, wild carrot, and common oregano. (-)-&beta;-bisabolene (S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene L-&beta;-bisabolene S-2,7(14),10-Bisabolatriene C15H24 204.357 204.187800773 1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene β-bisabolene 495-61-4 CC(C)=CCCC(=C)C1CCC(C)=CC1 InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3 XZRVRYFILCSYSP-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 homomonocyclic compounds Branched unsaturated hydrocarbons Cycloalkenes Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Bisabolane sesquiterpenoid Branched unsaturated hydrocarbon Cyclic olefin Cycloalkene Hydrocarbon Olefin Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon a sesquiterpenoid bisabolene logp 6.01 ALOGPS logs -4.39 ALOGPS solubility 8.41e-03 g/l ALOGPS logp 4.88 ChemAxon iupac 1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene ChemAxon average_mass 204.357 ChemAxon mono_mass 204.187800773 ChemAxon smiles CC(C)=CCCC(=C)C1CCC(C)=CC1 ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3 ChemAxon inchikey XZRVRYFILCSYSP-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 70.28 ChemAxon polarizability 26.99 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5622 Specdb::CMs 27225 Specdb::CMs 101776 Specdb::CMs 153954 Specdb::MsMs 91368 Specdb::MsMs 91369 Specdb::MsMs 91370 Specdb::MsMs 154743 Specdb::MsMs 154744 Specdb::MsMs 154745 Specdb::MsMs 3037307 Specdb::MsMs 3037308 Specdb::MsMs 3037309 Specdb::MsMs 3107018 Specdb::MsMs 3107019 Specdb::MsMs 3107020 HMDB35992 49263 #<Reference:0x000055ac40a4c148> Anise Type 1 specific Pimpinella anisum 271192 Carrot Type 1 specific Daucus carota ssp. sativus 79200 65.133333 180.0 3.8 mg/100 g Citrus Unknown generic Common oregano Type 1 specific Origanum vulgare 39352 32.15 32.15 32.15 mg/100 g Cumin Type 1 specific Cuminum cyminum 52462 21.0 21.0 21.0 mg/100 g Fats and oils Unknown generic Ginger Type 1 specific Zingiber officinale 94328 Guava Type 1 specific Psidium guajava 120290 Herbs and Spices Unknown generic Lemon Type 1 specific Citrus limon 2708 21.15 21.15 21.15 mg/100 g Lime Type 1 specific Citrus aurantiifolia 159033 9.0 9.0 9.0 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 1.238 2.2 0.276 mg/100 g Parsnip Type 1 specific Pastinaca sativa 4041 Pepper (Spice) Type 1 specific Piper nigrum 13216 Pot marjoram Type 1 specific Origanum onites 452416 74.05 123.5 24.6 mg/100 g Roman camomile Type 1 specific Chamaemelum nobile 99037 Rosemary Type 1 specific Rosmarinus officinalis 39367 Star anise Type 1 specific Illicium verum 124778 3.8 3.8 3.8 mg/100 g Sweet basil Type 1 specific Ocimum basilicum 39350 0.65 0.65 0.65 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 Sweet orange Type 1 specific Citrus sinensis 2711 Turmeric Type 1 specific Curcuma longa 136217 Wild carrot Type 1 specific Daucus carota 4039 65.133333 180.0 3.8 mg/100 g Winter savory Type 1 specific Satureja montana 49988 21.0 21.0 21.0 mg/100 g balsamic abortifacient 13 A chemical substance that interrupts pregnancy after implantation. anti rhinoviral 588 A substance that destroys or inhibits replication of viruses. anti ulcer 676 One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract. anti viral 689 A substance that destroys or inhibits replication of viruses. perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. stomachic 1330