1.0 2010-04-08 22:14:50 UTC 2025-11-19 02:28:25 UTC FDB020154 Safficinolide Constituent of Salvia officinalis (sage). Safficinolide is found in tea, herbs and spices, and common sage. C20H24O5 344.4016 344.162373878 4-hydroxy-7,7-dimethyl-6-oxo-3-(propan-2-yl)-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-1,10a-dicarbaldehyde 4-hydroxy-3-isopropyl-7,7-dimethyl-6-oxo-6aH,8H,9H,10H-benzo[c]isochromene-1,10a-dicarbaldehyde 153660-18-5 CC(C)C1=C(O)C2=C(C(C=O)=C1)C1(CCCC(C)(C)C1C(=O)O2)C=O InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)14-16(15(13)23)25-18(24)17-19(3,4)6-5-7-20(14,17)10-22/h8-11,17,23H,5-7H2,1-4H3 VBEKTSBYXBBXEO-UHFFFAOYSA-N belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that are 1-benzopyran carrying an oxo group at the 2-position. 3,4-dihydrocoumarins Organic compounds Phenylpropanoids and polyketides 3,4-dihydrocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Aryl-aldehydes Benzenoids Carboxylic acid esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 1-benzopyran 3,4-dihydrocoumarin Aldehyde Aromatic heteropolycyclic compound Aryl-aldehyde Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 3.75 ALOGPS logs -4.31 ALOGPS solubility 1.67e-02 g/l ALOGPS melting_point Mp 223-224° dec. logp 4.37 ChemAxon pka_strongest_acidic 8.51 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac 4-hydroxy-7,7-dimethyl-6-oxo-3-(propan-2-yl)-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-1,10a-dicarbaldehyde ChemAxon average_mass 344.4016 ChemAxon mono_mass 344.162373878 ChemAxon smiles CC(C)C1=C(O)C2=C(C(C=O)=C1)C1(CCCC(C)(C)C1C(=O)O2)C=O ChemAxon formula C20H24O5 ChemAxon inchi InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)14-16(15(13)23)25-18(24)17-19(3,4)6-5-7-20(14,17)10-22/h8-11,17,23H,5-7H2,1-4H3 ChemAxon inchikey VBEKTSBYXBBXEO-UHFFFAOYSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 94.02 ChemAxon polarizability 36.74 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12245 Specdb::CMs 46770 Specdb::CMs 133801 Specdb::CMs 141535 Specdb::MsMs 292999 Specdb::MsMs 293000 Specdb::MsMs 293001 Specdb::MsMs 333355 Specdb::MsMs 333356 Specdb::MsMs 333357 Specdb::MsMs 2440906 Specdb::MsMs 2440907 Specdb::MsMs 2440908 Specdb::MsMs 2524401 Specdb::MsMs 2524402 Specdb::MsMs 2524403 HMDB40421 #<Reference:0x000055ce3206ff30> 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