1.0 2010-04-08 22:05:00 UTC 2020-09-17 15:30:07 UTC FDB001522 alpha-Copaene Alpha-copaene is formally classified as a homocyclic organic compound although it is biochemically a sesquiterpenoid synthesized from isoprene units. Alpha-copaene is an oily liquid hydrocarbon that is found in a number of essential oil-producing plants and whose name is derived from the resin-producing tropical copaiba tree. Alpha-copaene was detected in the essential oils from the inner bark of the plant Kielmeyera coriacea Mart. & Zucc. (PMID: 25960759), the bark from Annona reticulate (PMID: 22007723) and was found in the leaves of Cedrelopsis grevei (PMID: 23459148), and Xylopia laevigata (PMID: 23307235). Alpha-copaene is a colorless clear viscous liquid with a spicy and woody taste. It that can be found in several food items such as lime, mandarin orange (clementine, tangerine), safflower, and summer savoury, which makes alpha-copaene a potential biomarker for the consumption of these food products. Copaene has been found to increase the antioxidant capacity in human lymphocytes in vitro (PMID: 24287609). (-)-α-copaene α-copaene Aglaiene Copaen Copaene Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl- C15H24 204.357 204.187800773 (1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0^{2,7}]dec-3-ene (1S,6S,7S,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0^{2,7}]dec-3-ene 3856-25-5 [H][C@@]12C3C(C)=CC[C@]1([H])[C@]3(C)CC[C@H]2C(C)C InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1 VLXDPFLIRFYIME-XIQJJJERSA-N belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 1-naphthalene sulfonates Organic compounds Benzenoids Naphthalenes Naphthalene sulfonic acids and derivatives Aromatic homopolycyclic compounds 1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organosulfonic acids Secondary amines Sulfonyls 1-naphthalene sulfonate 1-naphthalene sulfonic acid or derivatives 1-sulfo,2-unsubstituted aromatic compound Amine Aniline or substituted anilines Aromatic homopolycyclic compound Arylsulfonic acid or derivatives Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Secondary amine Sulfonyl aminonaphthalene naphthalenesulfonic acid logp 3.75 ALOGPS logs -5.05 ALOGPS solubility 1.81e-03 g/l ALOGPS logp 4.09 ChemAxon iupac (1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0^{2,7}]dec-3-ene ChemAxon average_mass 204.357 ChemAxon mono_mass 204.187800773 ChemAxon smiles [H][C@@]12C3C(C)=CC[C@]1([H])[C@]3(C)CC[C@H]2C(C)C ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1 ChemAxon inchikey VLXDPFLIRFYIME-XIQJJJERSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 65.77 ChemAxon polarizability 16.34 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62796 Specdb::MsMs 62797 Specdb::MsMs 62798 Specdb::MsMs 119598 Specdb::MsMs 119599 Specdb::MsMs 119600 Specdb::CMs 5852 Allspice Type 1 specific Pimenta dioica 375272 0.9 0.9 0.9 mg/100 g Cardamom Type 1 specific Elettaria cardamomum 105181 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Cloves Type 1 specific Syzygium aromaticum 219868 Common oregano Type 1 specific Origanum vulgare 39352 5.4 5.4 5.4 mg/100 g Common sage Type 1 specific Salvia officinalis 38868 Corn Type 1 specific Zea mays 4577 Cottonseed Type 1 specific Gossypium 3633 240.0 240.0 240.0 mg/100 g Cumin Type 1 specific Cuminum cyminum 52462 3.0 3.0 3.0 mg/100 g Ginger Type 1 specific Zingiber officinale 94328 Grape Type 1 specific Vitis 3603 Green bell pepper Type 1 specific Capsicum annuum 4072 Lemon Type 1 specific Citrus limon 2708 Lemon balm Type 1 specific Melissa officinalis 39338 6.2 6.2 6.2 mg/100 g Lime Type 1 specific Citrus aurantiifolia 159033 Lovage Type 1 specific Levisticum officinale 48042 15.95 15.95 15.95 mg/100 g Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 0.15 0.15 0.15 mg/100 g Nutmeg Type 1 specific Myristica fragrans 51089 Orange bell pepper Type 1 specific Capsicum annuum 4072 Orange mint Type 1 specific Mentha aquatica 190902 0.15 0.15 0.15 mg/100 g Parsley Type 1 specific Petroselinum crispum 4043 0.792 0.792 0.792 mg/100 g Pear Type 1 specific Pyrus communis 23211 Pepper Type 1 specific Capsicum annuum 4072 Pepper (Spice) Type 1 specific Piper nigrum 13216 Peppermint Type 1 specific Mentha X piperita 34256 Red bell pepper Type 1 specific Capsicum annuum 4072 Roman camomile Type 1 specific Chamaemelum nobile 99037 Rosemary Type 1 specific Rosmarinus officinalis 39367 0.3 0.3 0.3 mg/100 g Safflower Type 1 specific Carthamus tinctorius 4222 0.01225 0.0195 0.005 mg/100 g Spearmint Type 1 specific Mentha spicata 29719 Star anise Type 1 specific Illicium verum 124778 56.25 56.25 56.25 mg/100 g Summer savory Type 1 specific Satureja hortensis 49987 Sweet basil Type 1 specific Ocimum basilicum 39350 1.04 1.04 1.04 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 Sweet marjoram Type 1 specific Origanum majorana 268884 Sweet orange Type 1 specific Citrus sinensis 2711 Tamarind Type 1 specific Tamarindus indica 58860 Winter savory Type 1 specific Satureja montana 49988 4.4 4.4 4.4 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072 spice wood woody carminative 774