1.0 2010-04-08 22:04:40 UTC 2025-11-18 22:21:26 UTC FDB000702 Carrotatoxin Carrotatoxin, also known as falcarinol, (Z)-isomer or panaxynol, is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Carrotatoxin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carrotatoxin can be found in carrot and wild carrot, which makes carrotatoxin a potential biomarker for the consumption of these food products. (Z)-(R)-Heptadeca-1,9-diene-4,6-diyn-3-ol Carotatoxin Carrotatoxin C17H24O 244.3719 244.18271539 (9E)-heptadeca-1,9-dien-4,6-diyn-3-ol falcarinol 21852-80-2 CCCCCCC\C=C\CC#CC#CC(O)C=C InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10+ UGJAEDFOKNAMQD-ZHACJKMWSA-N belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Long-chain fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic acyclic compound Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Secondary alcohol logp 5.78 ALOGPS logs -4.89 ALOGPS solubility 3.18e-03 g/l ALOGPS logp 5.45 ChemAxon pka_strongest_acidic 13.29 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (9E)-heptadeca-1,9-dien-4,6-diyn-3-ol ChemAxon average_mass 244.3719 ChemAxon mono_mass 244.18271539 ChemAxon smiles CCCCCCC\C=C\CC#CC#CC(O)C=C ChemAxon formula C17H24O ChemAxon inchi InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10+ ChemAxon inchikey UGJAEDFOKNAMQD-ZHACJKMWSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 81.26 ChemAxon polarizability 31.86 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22652 Specdb::CMs 46470 Specdb::CMs 173015 Specdb::MsMs 84540 Specdb::MsMs 84541 Specdb::MsMs 84542 Specdb::MsMs 146424 Specdb::MsMs 146425 Specdb::MsMs 146426 Specdb::MsMs 2782009 Specdb::MsMs 2782010 Specdb::MsMs 2782011 Specdb::MsMs 2927266 Specdb::MsMs 2927267 Specdb::MsMs 2927268 HMDB0039588 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Wild carrot Type 1 specific Daucus carota 4039 Crustacicide 842 Neurotoxic 1160 A poison that interferes with the functions of the nervous system. 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.