1.0 2010-04-08 22:15:00 UTC 2019-11-26 03:18:52 UTC FDB020396 Kanzonol I Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol I is found in herbs and spices. (3R)-4'-Hydroxy-5,7-dimethoxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':2',3']isoflavan C27H32O5 436.54 436.224974134 8-[5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2,2-dimethyl-2H-chromen-5-ol 8-[5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2,2-dimethylchromen-5-ol 152546-94-6 COC1=CC2=C(CC(CO2)C2=C3OC(C)(C)C=CC3=C(O)C=C2)C(OC)=C1CC=C(C)C InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3 RVKDAOFCDAPVGX-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 7-O-methylated isoflavonoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Isoflavanols Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 5-methoxyisoflavonoid-skeleton 7-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 Pyranoisoflavonoid logp 5.45 ALOGPS logs -5.71 ALOGPS solubility 8.43e-04 g/l ALOGPS melting_point Mp 180-185° logp 5.81 ChemAxon pka_strongest_acidic 9.63 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 8-[5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2,2-dimethyl-2H-chromen-5-ol ChemAxon average_mass 436.54 ChemAxon mono_mass 436.224974134 ChemAxon smiles COC1=CC2=C(CC(CO2)C2=C3OC(C)(C)C=CC3=C(O)C=C2)C(OC)=C1CC=C(C)C ChemAxon formula C27H32O5 ChemAxon inchi InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3 ChemAxon inchikey RVKDAOFCDAPVGX-UHFFFAOYSA-N ChemAxon polar_surface_area 57.15 ChemAxon refractivity 128.54 ChemAxon polarizability 49.28 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21933 Specdb::CMs 46856 Specdb::CMs 137409 Specdb::CMs 145143 Specdb::MsMs 314707 Specdb::MsMs 314708 Specdb::MsMs 314709 Specdb::MsMs 360511 Specdb::MsMs 360512 Specdb::MsMs 360513 Specdb::MsMs 2322424 Specdb::MsMs 2322425 Specdb::MsMs 2322426 Specdb::MsMs 2615754 Specdb::MsMs 2615755 Specdb::MsMs 2615756 HMDB40606 #<Reference:0x00007f093c072618> Herbs and Spices Unknown generic