1.0 2010-04-08 22:15:00 UTC 2019-11-26 03:18:52 UTC FDB020395 Kanzonol J Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol J is found in herbs and spices. C26H30O5 422.5134 422.20932407 8-{9-methoxy-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl}-2,2-dimethyl-2H-chromen-5-ol 8-{9-methoxy-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl}-2,2-dimethylchromen-5-ol 152511-47-2 COC1=C2CC(COC2=CC2=C1CCC(C)(C)O2)C1=C2OC(C)(C)C=CC2=C(O)C=C1 InChI=1S/C26H30O5/c1-25(2)11-9-18-22(30-25)13-21-19(23(18)28-5)12-15(14-29-21)16-6-7-20(27)17-8-10-26(3,4)31-24(16)17/h6-8,10,13,15,27H,9,11-12,14H2,1-5H3 POHNDGZXXXCXFF-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton. Pyranoisoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids Pyranoisoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans 5-O-methylated isoflavonoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Isoflavanols Oxacyclic compounds Pyranochromenes 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 5-methoxyisoflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyranochromene Pyranoisoflavonoid logp 5.19 ALOGPS logs -5.81 ALOGPS solubility 6.62e-04 g/l ALOGPS logp 5.26 ChemAxon pka_strongest_acidic 9.63 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 8-{9-methoxy-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl}-2,2-dimethyl-2H-chromen-5-ol ChemAxon average_mass 422.5134 ChemAxon mono_mass 422.20932407 ChemAxon smiles COC1=C2CC(COC2=CC2=C1CCC(C)(C)O2)C1=C2OC(C)(C)C=CC2=C(O)C=C1 ChemAxon formula C26H30O5 ChemAxon inchi InChI=1S/C26H30O5/c1-25(2)11-9-18-22(30-25)13-21-19(23(18)28-5)12-15(14-29-21)16-6-7-20(27)17-8-10-26(3,4)31-24(16)17/h6-8,10,13,15,27H,9,11-12,14H2,1-5H3 ChemAxon inchikey POHNDGZXXXCXFF-UHFFFAOYSA-N ChemAxon polar_surface_area 57.15 ChemAxon refractivity 121.27 ChemAxon polarizability 47.28 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13163 Specdb::CMs 46855 Specdb::CMs 135908 Specdb::CMs 143642 Specdb::MsMs 294928 Specdb::MsMs 294929 Specdb::MsMs 294930 Specdb::MsMs 335800 Specdb::MsMs 335801 Specdb::MsMs 335802 Specdb::MsMs 3055310 Specdb::MsMs 3055311 Specdb::MsMs 3055312 Specdb::MsMs 3111662 Specdb::MsMs 3111663 Specdb::MsMs 3111664 HMDB40605 #<Reference:0x000055ce33118828> Herbs and Spices Unknown generic