1.0 2010-04-08 22:15:23 UTC 2019-11-26 03:19:43 UTC FDB020984 Kanzonol O Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Kanzonol O is found in herbs and spices. (3R)-8-Carboxyaldehyde-7,4'-dihydroxy-5-methoxy-6'',6''-dimethylpyrano[2'',3'':2',3']isoflavan C22H22O6 382.4065 382.141638436 7-hydroxy-3-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-5-methoxy-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-5-methoxy-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde 156250-69-0 COC1=C2CC(COC2=C(C=O)C(O)=C1)C1=C2OC(C)(C)C=CC2=C(O)C=C1 InChI=1S/C22H22O6/c1-22(2)7-6-14-17(24)5-4-13(21(14)28-22)12-8-15-19(26-3)9-18(25)16(10-23)20(15)27-11-12/h4-7,9-10,12,24-25H,8,11H2,1-3H3 KSXQVRGDUCBPNX-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 Aryl-aldehydes Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 5-methoxyisoflavonoid-skeleton Aldehyde Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl-aldehyde Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyranoisoflavonoid Vinylogous acid logp 3.81 ALOGPS logs -4.64 ALOGPS solubility 8.69e-03 g/l ALOGPS logp 4.3 ChemAxon pka_strongest_acidic 8.7 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 7-hydroxy-3-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-5-methoxy-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde ChemAxon average_mass 382.4065 ChemAxon mono_mass 382.141638436 ChemAxon smiles COC1=C2CC(COC2=C(C=O)C(O)=C1)C1=C2OC(C)(C)C=CC2=C(O)C=C1 ChemAxon formula C22H22O6 ChemAxon inchi InChI=1S/C22H22O6/c1-22(2)7-6-14-17(24)5-4-13(21(14)28-22)12-8-15-19(26-3)9-18(25)16(10-23)20(15)27-11-12/h4-7,9-10,12,24-25H,8,11H2,1-3H3 ChemAxon inchikey KSXQVRGDUCBPNX-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 106.4 ChemAxon polarizability 40.02 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22961 Specdb::CMs 47120 Specdb::CMs 161252 Specdb::MsMs 9602 Specdb::MsMs 9603 Specdb::MsMs 9604 Specdb::MsMs 16274 Specdb::MsMs 16275 Specdb::MsMs 16276 Specdb::MsMs 2329569 Specdb::MsMs 2329570 Specdb::MsMs 2329571 Specdb::MsMs 2636407 Specdb::MsMs 2636408 Specdb::MsMs 2636409 HMDB41102 #<Reference:0x000055ce32591f68> Herbs and Spices Unknown generic