1.0 2010-04-08 22:09:59 UTC 2019-11-26 03:06:07 UTC FDB012075 Glycyrol Isolated from Glycyrrhiza species root (licorice). Glycyrol is found in root vegetables. 1,9-Dihydroxy-3-methoxy-2-prenylcoumestan 3,9-Dihydroxy-1-methoxy-2-prenylcoumestan Glycyrol Neoglycyrol C21H18O6 366.364 366.110338308 5,14-dihydroxy-3-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one 5,14-dihydroxy-3-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one 23013-84-5 COC1=C(CC=C(C)C)C(O)=CC2=C1C1=C(C3=C(O1)C=C(O)C=C3)C(=O)O2 InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3 LWESBHWAOZORCQ-UHFFFAOYSA-N belongs to the class of organic compounds known as coumestans. These are polycyclic aromatic compounds containing a coumestan moiety, which consists of a benzoxole fused to a chromen-2-one to form 1-Benzoxolo[3,2-c]chromen-6-one. They are oxidation products of pterocarpan. Coumestans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Coumestans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Angular furanocoumarins Anisoles Benzofurans Furans Furopyrans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Angular furanocoumarin Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Coumarin Coumestan Ether Furan Furanocoumarin Furopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Coumestan flavonoids aromatic ether coumestans delta-lactone polyphenol logp 4.06 ALOGPS logs -3.70 ALOGPS solubility 7.38e-02 g/l ALOGPS melting_point Mp 243.5-245° logp 3.97 ChemAxon pka_strongest_acidic 7.03 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 5,14-dihydroxy-3-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one ChemAxon average_mass 366.364 ChemAxon mono_mass 366.110338308 ChemAxon smiles COC1=C(CC=C(C)C)C(O)=CC2=C1C1=C(C3=C(O1)C=C(O)C=C3)C(=O)O2 ChemAxon formula C21H18O6 ChemAxon inchi InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3 ChemAxon inchikey LWESBHWAOZORCQ-UHFFFAOYSA-N ChemAxon polar_surface_area 89.13 ChemAxon refractivity 100.33 ChemAxon polarizability 38.67 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21446 Specdb::CMs 43559 Specdb::CMs 132913 Specdb::CMs 140647 Specdb::MsMs 10280 Specdb::MsMs 10281 Specdb::MsMs 10282 Specdb::MsMs 16952 Specdb::MsMs 16953 Specdb::MsMs 16954 Specdb::MsMs 2842599 Specdb::MsMs 2842600 Specdb::MsMs 2842601 Specdb::MsMs 2866740 Specdb::MsMs 2866741 Specdb::MsMs 2866742 HMDB33882 #<Reference:0x000055ce33034740> #<Reference:0x000055ce33034588> Root vegetables Unknown generic