1.0 2010-04-08 22:05:27 UTC 2025-11-18 22:38:52 UTC FDB002631 Dihydrocubebin Isolated from Piper cubeba (cubeb pepper). Dihydrocubebin is found in ucuhuba and herbs and spices. (-)-Dihydrocubebin 2,3-Bis(1,3-benzodioxol-5-ylmethyl)-1,4-butanediol, 9CI Dihydrocubebin C20H22O6 358.3851 358.141638436 2,3-bis(2H-1,3-benzodioxol-5-ylmethyl)butane-1,4-diol 2,3-bis(2H-1,3-benzodioxol-5-ylmethyl)butane-1,4-diol 24563-03-9 OCC(CC1=CC2=C(OCO2)C=C1)C(CO)CC1=CC2=C(OCO2)C=C1 InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2 JKCVMTYNARDGET-UHFFFAOYSA-N belongs to the class of organic compounds known as dibenzylbutanediol lignans. These are lignan compounds containing a 2,3-dibenzylbutane-1,4-diol moiety. Dibenzylbutanediol lignans Organic compounds Lignans, neolignans and related compounds Dibenzylbutane lignans Dibenzylbutanediol lignans Aromatic heteropolycyclic compounds Acetals Benzenoids Benzodioxoles Hydrocarbon derivatives Oxacyclic compounds Primary alcohols Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzodioxole Dibenzylbutanediol Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol logp 2.21 ALOGPS logs -3.75 ALOGPS solubility 6.35e-02 g/l ALOGPS melting_point Mp 112° logp 2.5 ChemAxon pka_strongest_acidic 15.15 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2,3-bis(2H-1,3-benzodioxol-5-ylmethyl)butane-1,4-diol ChemAxon average_mass 358.3851 ChemAxon mono_mass 358.141638436 ChemAxon smiles OCC(CC1=CC2=C(OCO2)C=C1)C(CO)CC1=CC2=C(OCO2)C=C1 ChemAxon formula C20H22O6 ChemAxon inchi InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2 ChemAxon inchikey JKCVMTYNARDGET-UHFFFAOYSA-N ChemAxon polar_surface_area 77.38 ChemAxon refractivity 93.93 ChemAxon polarizability 37.22 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17069 Specdb::CMs 42107 Specdb::CMs 157576 Specdb::MsMs 8360 Specdb::MsMs 8361 Specdb::MsMs 8362 Specdb::MsMs 15032 Specdb::MsMs 15033 Specdb::MsMs 15034 Specdb::MsMs 2312927 Specdb::MsMs 2312928 Specdb::MsMs 2312929 Specdb::MsMs 2653529 Specdb::MsMs 2653530 Specdb::MsMs 2653531 HMDB30709 #<Reference:0x00007f08d1a29b68> Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Hard wheat Type 1 specific Triticum durum 4567 Herbs and Spices Unknown generic Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Ucuhuba Type 1 specific Virola surinamensis 224910 Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949