1.0 2010-04-08 22:09:33 UTC 2019-11-26 03:04:45 UTC FDB011281 Cubebinone Constituent of Piper cubeba (cubeb pepper). Cubebinone is found in herbs and spices. Cubebinone C23H26O8 430.4477 430.162767808 3-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one 3-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one 101751-71-7 COC1=C2OCOC2=CC(CC2C(CC3=CC(OC)=C(OC)C(OC)=C3)COC2=O)=C1 InChI=1S/C23H26O8/c1-25-17-7-13(8-18(26-2)21(17)28-4)5-15-11-29-23(24)16(15)6-14-9-19(27-3)22-20(10-14)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3 BFDODNWEBMWJIS-UHFFFAOYSA-N belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Dibenzylbutyrolactone lignans Organic compounds Lignans, neolignans and related compounds Furanoid lignans Tetrahydrofuran lignans Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzodioxoles Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Lignan lactones Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Tetrahydrofurans Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dibenzylbutyrolactone Ether Gamma butyrolactone Hydrocarbon derivative Lactone Lignan lactone Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Tetrahydrofuran logp 3.53 ALOGPS logs -4.72 ALOGPS solubility 8.18e-03 g/l ALOGPS melting_point Mp 108-110° logp 3.21 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one ChemAxon average_mass 430.4477 ChemAxon mono_mass 430.162767808 ChemAxon smiles COC1=C2OCOC2=CC(CC2C(CC3=CC(OC)=C(OC)C(OC)=C3)COC2=O)=C1 ChemAxon formula C23H26O8 ChemAxon inchi InChI=1S/C23H26O8/c1-25-17-7-13(8-18(26-2)21(17)28-4)5-15-11-29-23(24)16(15)6-14-9-19(27-3)22-20(10-14)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3 ChemAxon inchikey BFDODNWEBMWJIS-UHFFFAOYSA-N ChemAxon polar_surface_area 81.68 ChemAxon refractivity 110.37 ChemAxon polarizability 44.06 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13224 Specdb::CMs 166409 Specdb::MsMs 6797 Specdb::MsMs 6798 Specdb::MsMs 6799 Specdb::MsMs 13469 Specdb::MsMs 13470 Specdb::MsMs 13471 Specdb::MsMs 2704211 Specdb::MsMs 2704212 Specdb::MsMs 2704213 Specdb::MsMs 3001942 Specdb::MsMs 3001943 Specdb::MsMs 3001944 HMDB33259 #<Reference:0x00007f093c17e4d0> Herbs and Spices Unknown generic