1.0 2010-04-08 22:14:14 UTC 2025-11-19 02:18:30 UTC FDB019262 Piperenol A Isolated from Piper cubeba (cubeb pepper). Piperenol A is found in herbs and spices. Piperenol A C21H20O7 384.3793 384.120902994 [5-(benzoyloxy)-3,4,6-trihydroxycyclohex-1-en-1-yl]methyl benzoate [5-(benzoyloxy)-3,4,6-trihydroxycyclohex-1-en-1-yl]methyl benzoate 134476-89-4 OC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C2=CC=CC=C2)C1O InChI=1S/C21H20O7/c22-16-11-15(12-27-20(25)13-7-3-1-4-8-13)17(23)19(18(16)24)28-21(26)14-9-5-2-6-10-14/h1-11,16-19,22-24H,12H2 ZOJARMGZFXZIBH-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoyl derivatives Carboxylic acid esters Cyclitols and derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Polyols Secondary alcohols Alcohol Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Cyclitol or derivatives Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol logp 1.51 ALOGPS logs -2.97 ALOGPS solubility 4.15e-01 g/l ALOGPS melting_point Mp 48-49° logp 1.96 ChemAxon pka_strongest_acidic 12.83 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac [5-(benzoyloxy)-3,4,6-trihydroxycyclohex-1-en-1-yl]methyl benzoate ChemAxon average_mass 384.3793 ChemAxon mono_mass 384.120902994 ChemAxon smiles OC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C2=CC=CC=C2)C1O ChemAxon formula C21H20O7 ChemAxon inchi InChI=1S/C21H20O7/c22-16-11-15(12-27-20(25)13-7-3-1-4-8-13)17(23)19(18(16)24)28-21(26)14-9-5-2-6-10-14/h1-11,16-19,22-24H,12H2 ChemAxon inchikey ZOJARMGZFXZIBH-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 99.87 ChemAxon polarizability 38.91 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23587 Specdb::CMs 46496 Specdb::CMs 136553 Specdb::CMs 144287 Specdb::MsMs 9047 Specdb::MsMs 9048 Specdb::MsMs 9049 Specdb::MsMs 15719 Specdb::MsMs 15720 Specdb::MsMs 15721 Specdb::MsMs 2284081 Specdb::MsMs 2284082 Specdb::MsMs 2284083 Specdb::MsMs 3081435 Specdb::MsMs 3081436 Specdb::MsMs 3081437 HMDB39634 #<Reference:0x000055ce31da5340> Herbs and Spices Unknown generic