1.0 2010-04-08 22:15:25 UTC 2018-05-29 01:49:21 UTC FDB021037 7-Hydroxyaloin B Constituent of leaves of Aloe vera 7-hydroxyaloin 7-Hydroxyaloin B C21H22O10 434.3934 434.121296924 1,2,8-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one 1,2,8-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one 82461-12-9 OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(CO)C=C2O InChI=1S/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2 HKKOALUTOMGGMT-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. Anthracenes Organic compounds Benzenoids Anthracenes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aromatic alcohols Aryl ketones C-glycosyl compounds Dialkyl ethers Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Anthracene Aromatic alcohol Aromatic heteropolycyclic compound Aryl ketone C-glycosyl compound Dialkyl ether Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Vinylogous acid logp -0.60 ALOGPS logs -2.07 ALOGPS solubility 3.72e+00 g/l ALOGPS logp 0.11 ChemAxon pka_strongest_acidic 9.02 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,2,8-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one ChemAxon average_mass 434.3934 ChemAxon mono_mass 434.121296924 ChemAxon smiles OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(CO)C=C2O ChemAxon formula C21H22O10 ChemAxon inchi InChI=1S/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2 ChemAxon inchikey HKKOALUTOMGGMT-UHFFFAOYSA-N ChemAxon polar_surface_area 188.14 ChemAxon refractivity 105.77 ChemAxon polarizability 41.83 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 306988 Specdb::MsMs 306989 Specdb::MsMs 306990 Specdb::MsMs 350815 Specdb::MsMs 350816 Specdb::MsMs 350817 Specdb::MsMs 2314454 Specdb::MsMs 2314455 Specdb::MsMs 2314456 Specdb::MsMs 2621342 Specdb::MsMs 2621343 Specdb::MsMs 2621344 Specdb::CMs 18491 Specdb::CMs 47148 Specdb::CMs 136970 Specdb::CMs 144704 Specdb::CMs 154860 Specdb::CMs 154862 Specdb::CMs 154864 Specdb::CMs 154866 Specdb::CMs 154868 Specdb::CMs 154870 Specdb::CMs 154872 Specdb::CMs 154874 Specdb::CMs 154876 Specdb::CMs 154878 Specdb::CMs 154880 Specdb::CMs 154882 Specdb::CMs 154884 Specdb::CMs 154886 Specdb::CMs 154889 Specdb::CMs 154891 Specdb::CMs 154893 Specdb::CMs 154895 Specdb::CMs 154897 Specdb::CMs 154899 Specdb::CMs 154901 Specdb::NmrOneD 44922 Specdb::NmrOneD 44923 Specdb::NmrOneD 44924 Specdb::NmrOneD 44925 Specdb::NmrOneD 44926 Specdb::NmrOneD 44927 Specdb::NmrOneD 44928 Specdb::NmrOneD 44929 Specdb::NmrOneD 44930 Specdb::NmrOneD 44931 Specdb::NmrOneD 44932 Specdb::NmrOneD 44933 Specdb::NmrOneD 44934 Specdb::NmrOneD 44935 Specdb::NmrOneD 44936 Specdb::NmrOneD 44937 Specdb::NmrOneD 44938 Specdb::NmrOneD 44939 Specdb::NmrOneD 44940 Specdb::NmrOneD 44941 HMDB41150 #<Reference:0x000055ce3272caf8>