1.0 2010-04-08 22:05:31 UTC 2019-11-26 02:57:59 UTC FDB002799 Sagequinone methide A Constituent of Salvia officinalis (sage). Sagequinone methide A is found in tea, herbs and spices, and common sage. Sagequinone methide A C20H24O4 328.4022 328.167459256 3-hydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,5,7-triene-4,15-dione 3-hydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,5,7-triene-4,15-dione 194472-90-7 CC(C)C1=CC2=CC3OC(=O)C4(CCCC(C)(C)C34)C2=C(O)C1=O InChI=1S/C20H24O4/c1-10(2)12-8-11-9-13-17-19(3,4)6-5-7-20(17,18(23)24-13)14(11)16(22)15(12)21/h8-10,13,17,22H,5-7H2,1-4H3 CYJLXXSGOZGYMC-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Diterpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carboxylic acid esters Cyclic ketones Diterpenoids Enols Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Diterpene lactone Diterpenoid Enol Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tetrahydrofuran logp 3.03 ALOGPS logs -3.85 ALOGPS solubility 4.63e-02 g/l ALOGPS melting_point Mp 145-147° logp 3.23 ChemAxon pka_strongest_acidic 9.39 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-hydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,5,7-triene-4,15-dione ChemAxon average_mass 328.4022 ChemAxon mono_mass 328.167459256 ChemAxon smiles CC(C)C1=CC2=CC3OC(=O)C4(CCCC(C)(C)C34)C2=C(O)C1=O ChemAxon formula C20H24O4 ChemAxon inchi InChI=1S/C20H24O4/c1-10(2)12-8-11-9-13-17-19(3,4)6-5-7-20(17,18(23)24-13)14(11)16(22)15(12)21/h8-10,13,17,22H,5-7H2,1-4H3 ChemAxon inchikey CYJLXXSGOZGYMC-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 92.65 ChemAxon polarizability 35.7 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19419 Specdb::CMs 42204 Specdb::CMs 132829 Specdb::CMs 140563 Specdb::MsMs 90573 Specdb::MsMs 90574 Specdb::MsMs 90575 Specdb::MsMs 153759 Specdb::MsMs 153760 Specdb::MsMs 153761 Specdb::MsMs 2468848 Specdb::MsMs 2468849 Specdb::MsMs 2468850 Specdb::MsMs 2493188 Specdb::MsMs 2493189 Specdb::MsMs 2493190 HMDB30841 #<Reference:0x000055ce32491ac8> Black tea Type 1 Common sage Type 1 specific Salvia officinalis 38868 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442