1.0 2010-04-08 22:04:58 UTC 2020-09-17 15:32:29 UTC FDB001462 cis-beta-Ocimene Cis-beta-Ocimene is a naturally occurring organic compound found within a variety of plants and fruits. It is formally classified as an alkatriene although it is biochemically an acyclic monoterpene as it synthesized via multiple isoprene units. Acyclic monoterpens do not contain a cycle. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-erythritol-phosphate (MEP) pathway in plastids (PMID: 7640522). There are three known Ocimene isomers including Alpha-, cis-Beta and trans-Beta-Ocimene. Alpha-Ocimene is known as 3,7-dimethyl-1,3,7-octatriene. Beta-Ocimene is known as 3,7-dimethyl-1,3,6-octatriene. Beta-Ocimene exists in two stereoisomeric forms, cis and trans, with respect to the central double bond. The ocimenes are often found naturally as mixtures of the various forms. Ocimenes are believed to act as plant defense chemicals and have anti-fungal properties. Cis-beta-Ocimene is a neutral, very hydrophobic molecule, practically insoluble in water. It exists as a pale, colorless oil. cis-Beta-Ocimene has a warm, floral, sweet odor and has a spicy, green, metallic taste. It is found naturally in a number of plants and foods including allspice, anise, basil, bay leaf, caraway seed, celery, cinnamon, coriander, dill, fennel, grapefruit, guava, lavender, lemons, limes, mandarin oranges, papaya and parsley. (3Z)-3,7-Dimethyl-1,3,6-octatriene (Z)-3,7-Dimethyl-1,3,6-octatriene (Z)-3,7-Dimethylocta-1,3,6,-triene (Z)-beta-Ocimene &beta;-(Z)-Ocimene &beta;-cis-Ocimene 1,3,6-Octatriene, 3,7-dimethyl-, (3Z)- 1,3,6-Octatriene, 3,7-dimethyl-, (Z)- 3,7-Dimethyl-(3Z)-1,3,6-octatriene 3,7-Dimethyl-(Z)-1,3,6-octatriene beta -(Z)-Ocimene beta -cis-Ocimene beta-cis-Ocimene cis-&beta;-Ocimene cis-3,7-Dimethyl-1,3,6-octatriene cis-beta -Ocimene cis-beta-Ocimene cis-Ocimene Z-&beta;-Ocimene Z-beta -Ocimene Z-Ocimene C10H16 136.234 136.125200512 (3Z)-3,7-dimethylocta-1,3,6-triene (Z)-β-ocimene 3338-55-4 CC(C)=CC\C=C(\C)C=C InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8- IHPKGUQCSIINRJ-NTMALXAHSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Alkatrienes Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Acyclic monoterpenoid Acyclic olefin Aliphatic acyclic compound Alkatriene Branched unsaturated hydrocarbon Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Acyclic monoterpenoids monoterpene Liquid logp 4.30 ALOGPS logs -2.91 ALOGPS solubility 1.67e-01 g/l ALOGPS logp 3.48 ChemAxon iupac (3Z)-3,7-dimethylocta-1,3,6-triene ChemAxon average_mass 136.234 ChemAxon mono_mass 136.125200512 ChemAxon smiles CC(C)=CC\C=C(\C)C=C ChemAxon formula C10H16 ChemAxon inchi InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8- ChemAxon inchikey IHPKGUQCSIINRJ-NTMALXAHSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 49.45 ChemAxon polarizability 17.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1711 Specdb::CMs 2382 Specdb::CMs 103756 Specdb::CMs 168010 Specdb::MsMs 47523 Specdb::MsMs 47524 Specdb::MsMs 47525 Specdb::MsMs 115197 Specdb::MsMs 115198 Specdb::MsMs 115199 Specdb::MsMs 2266311 Specdb::MsMs 2266312 Specdb::MsMs 2266313 Specdb::MsMs 3075243 Specdb::MsMs 3075244 Specdb::MsMs 3075245 HMDB30088 #<Reference:0x000055ce30c68f00> Allspice Type 1 specific Pimenta dioica 375272 Anise Type 1 specific Pimpinella anisum 271192 2.5 2.5 2.5 mg/100 g Black tea Type 1 Blackcurrant Type 1 specific Ribes nigrum 78511 Caraway Type 1 specific Carum carvi 48032 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Celeriac Type 1 specific Apium graveolens var. rapaceum 278110 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 0.75 0.75 0.75 mg/100 g Common oregano Type 1 specific Origanum vulgare 39352 69.85 69.85 69.85 mg/100 g Common sage Type 1 specific Salvia officinalis 38868 Coriander Type 1 specific Coriandrum sativum 4047 Cornmint Type 1 specific Mentha arvensis 292239 Dill Type 1 specific Anethum graveolens 40922 Fennel Type 1 specific Foeniculum vulgare 48038 32.0 32.0 32.0 mg/100 g Green bell pepper Type 1 specific Capsicum annuum 4072 Green tea Type 1 Guava Type 1 specific Psidium guajava 120290 Herbal tea Type 1 Hyssop Type 1 specific Hyssopus officinalis 39324 15.446667 36.005 0.33 mg/100 g Lemon Type 1 specific Citrus limon 2708 Lemon balm Type 1 specific Melissa officinalis 39338 1.25 1.25 1.25 mg/100 g Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 Orange mint Type 1 specific Mentha aquatica 190902 0.6 0.6 0.6 mg/100 g Papaya Type 1 specific Carica papaya 3649 Parsley Type 1 specific Petroselinum crispum 4043 Parsnip Type 1 specific Pastinaca sativa 4041 Pepper (Spice) Type 1 specific Piper nigrum 13216 Pot marjoram Type 1 specific Origanum onites 452416 0.005 0.005 0.005 mg/100 g Red tea Type 1 Rosemary Type 1 specific Rosmarinus officinalis 39367 3.755 3.755 3.755 mg/100 g Spearmint Type 1 specific Mentha spicata 29719 34.3 34.3 34.3 mg/100 g Star anise Type 1 specific Illicium verum 124778 10.0 10.0 10.0 mg/100 g Sweet basil Type 1 specific Ocimum basilicum 39350 12.75 12.75 12.75 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 Sweet orange Type 1 specific Citrus sinensis 2711 Tarragon Type 1 specific Artemisia dracunculus 72341 Tea Type 1 specific Camellia sinensis 4442 Wild celery Type 1 specific Apium graveolens 4045 225.0 225.0 225.0 mg/100 g Winter savory Type 1 specific Satureja montana 49988 1.8 1.8 1.8 mg/100 g citrus floral flower herb sweet warm Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti-staphylococcic 627 A substance that kills or slows the growth of bacteria. Fungicide 940 A substance used to destroy fungal pests.