1.0 2010-04-08 22:12:23 UTC 2019-11-26 03:13:04 UTC FDB016341 Oleacein Constituent of Olea europaea (olive)and is) also from Jasminum grandiflorum (Royal jasmine). Oleacein is found in many foods, some of which are green vegetables, tea, herbs and spices, and olive. 2-(3,4-Dihydroxyphenyl)ethyl 4-formyl-3-formylmethyl-4-hexenoate 3,4-DHPEA-EDA C17H20O6 320.3371 320.125988372 2-(3,4-dihydroxyphenyl)ethyl (4Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate 2-(3,4-dihydroxyphenyl)ethyl (4Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate 149183-75-5 [H]\C(C)=C(\C=O)C(CC=O)CC(=O)OCCC1=CC(O)=C(O)C=C1 InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2+ XLPXUPOZUYGVPD-XNJYKOPJSA-N belongs to the class of organic compounds known as tyrosols and derivatives. Tyrosols and derivatives are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group. Tyrosols and derivatives Organic compounds Benzenoids Phenols Tyrosols and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alpha-hydrogen aldehydes Benzene and substituted derivatives Carboxylic acid esters Catechols Enals Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aldehyde Alpha,beta-unsaturated aldehyde Alpha-hydrogen aldehyde Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Enal Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Tyrosol derivative logp 2.71 ALOGPS logs -3.89 ALOGPS solubility 4.15e-02 g/l ALOGPS logp 1.53 ChemAxon pka_strongest_acidic 9.28 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 2-(3,4-dihydroxyphenyl)ethyl (4Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate ChemAxon average_mass 320.3371 ChemAxon mono_mass 320.125988372 ChemAxon smiles [H]\C(C)=C(\C=O)C(CC=O)CC(=O)OCCC1=CC(O)=C(O)C=C1 ChemAxon formula C17H20O6 ChemAxon inchi InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2+ ChemAxon inchikey XLPXUPOZUYGVPD-XNJYKOPJSA-N ChemAxon polar_surface_area 100.9 ChemAxon refractivity 85.25 ChemAxon polarizability 33.15 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11740 Specdb::CMs 45313 Specdb::CMs 135639 Specdb::CMs 143373 Specdb::MsMs 72138 Specdb::MsMs 72139 Specdb::MsMs 72140 Specdb::MsMs 130965 Specdb::MsMs 130966 Specdb::MsMs 130967 Specdb::MsMs 2354754 Specdb::MsMs 2354755 Specdb::MsMs 2354756 Specdb::MsMs 2607786 Specdb::MsMs 2607787 Specdb::MsMs 2607788 HMDB37321 #<Reference:0x000055ce3255a5e0> Black tea Type 1 Fats and oils Unknown generic Fruits Unknown generic Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Olive Type 1 specific Olea europaea 4146 12.897312 25.162038933 5.74240011 mg/100 g Olive oil Type 2 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442