1.0 2010-04-08 22:09:15 UTC 2019-11-26 03:03:59 UTC FDB010689 Cubebininolide Constituent of Piper cubeba (cubeb pepper). Cubebininolide is found in herbs and spices. 3,3',4,4',5,5'-Hexamethoxylignan-9,9'-olide Cordigerin Cubebininolide C24H30O8 446.4902 446.194067936 3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one 3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one 93395-16-5 COC1=CC(CC2COC(=O)C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC InChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3 VUNCHONBJWJYID-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 heteromonocyclic compounds Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Lignan lactones Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Tetrahydrofurans Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid 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 3.55 ALOGPS logs -4.83 ALOGPS solubility 6.56e-03 g/l ALOGPS logp 3.27 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one ChemAxon average_mass 446.4902 ChemAxon mono_mass 446.194067936 ChemAxon smiles COC1=CC(CC2COC(=O)C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC ChemAxon formula C24H30O8 ChemAxon inchi InChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3 ChemAxon inchikey VUNCHONBJWJYID-UHFFFAOYSA-N ChemAxon polar_surface_area 81.68 ChemAxon refractivity 117.53 ChemAxon polarizability 46.65 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14579 Specdb::CMs 158155 Specdb::MsMs 78435 Specdb::MsMs 78436 Specdb::MsMs 78437 Specdb::MsMs 138783 Specdb::MsMs 138784 Specdb::MsMs 138785 Specdb::MsMs 2795495 Specdb::MsMs 2795496 Specdb::MsMs 2795497 Specdb::MsMs 2886689 Specdb::MsMs 2886690 Specdb::MsMs 2886691 HMDB32728 #<Reference:0x000055ce2f601dc0> Herbs and Spices Unknown generic