1.0 2010-04-08 22:09:50 UTC 2019-11-26 03:05:27 UTC FDB011801 Falcarinone Isolated from Sium sisarum (skirret). Falcarinone is found in many foods, some of which are parsley, green vegetables, caraway, and coffee and coffee products. Dehydrofalcarinone Falcarinone Gnetuhainin m C17H22O 242.356 242.167065326 (9E)-heptadeca-1,9-dien-4,6-diyn-3-one (9E)-heptadeca-1,9-dien-4,6-diyn-3-one 4117-11-7 CCCCCCC\C=C\CC#CC#CC(=O)C=C InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3/b11-10+ UQEBOJRXTNLPKZ-ZHACJKMWSA-N belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Enones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic acyclic compound Enone Hydrocarbon derivative Ketone Organic oxide logp 5.99 ALOGPS logs -5.07 ALOGPS solubility 2.08e-03 g/l ALOGPS logp 6.22 ChemAxon pka_strongest_basic -6.5 ChemAxon iupac (9E)-heptadeca-1,9-dien-4,6-diyn-3-one ChemAxon average_mass 242.356 ChemAxon mono_mass 242.167065326 ChemAxon smiles CCCCCCC\C=C\CC#CC#CC(=O)C=C ChemAxon formula C17H22O ChemAxon inchi InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3/b11-10+ ChemAxon inchikey UQEBOJRXTNLPKZ-ZHACJKMWSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 80.57 ChemAxon polarizability 31.29 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12254 Specdb::CMs 152328 Specdb::MsMs 103845 Specdb::MsMs 103846 Specdb::MsMs 103847 Specdb::MsMs 169986 Specdb::MsMs 169987 Specdb::MsMs 169988 Specdb::MsMs 2329041 Specdb::MsMs 2329042 Specdb::MsMs 2329043 Specdb::MsMs 2636125 Specdb::MsMs 2636126 Specdb::MsMs 2636127 HMDB33693 #<Reference:0x000055ce3255dda8> Arabica coffee Type 1 specific Coffea arabica 13443 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 Coffee and coffee products Unknown generic Green vegetables Unknown generic Parsley Type 1 specific Petroselinum crispum 4043 Parsnip Type 1 specific Pastinaca sativa 4041 Robusta coffee Type 1 specific Coffea canephora 49390 Wild celery Type 1 specific Apium graveolens 4045 Fungicide 940 A substance used to destroy fungal pests. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Phytoalexin 1223 A toxin made by a plant that acts against an organism attacking it.