1.0 2010-04-08 22:05:26 UTC 2020-02-24 19:10:33 UTC FDB002585 Pulmatin Constituent of Rheum palmatum (Turkey rhubarb). Pulmatin is found in green vegetables and garden rhubarb. Pulmatin C21H20O9 416.3781 416.110732238 8-hydroxy-3-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione 8-hydroxy-3-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione 4839-60-5 CC1=CC2=C(C(=O)C3=C(C=CC=C3O)C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3 QKPDYSSHOSPOKH-UHFFFAOYSA-N belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. Anthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Aryl ketones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 9,10-anthraquinone Acetal Alcohol Anthraquinone Aromatic heteropolycyclic compound Aryl ketone Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp 0.61 ALOGPS logs -2.34 ALOGPS solubility 1.90e+00 g/l ALOGPS melting_point Mp 232-234° logp 1.21 ChemAxon pka_strongest_acidic 9.39 ChemAxon pka_strongest_basic -3 ChemAxon iupac 8-hydroxy-3-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 416.3781 ChemAxon mono_mass 416.110732238 ChemAxon smiles CC1=CC2=C(C(=O)C3=C(C=CC=C3O)C2=O)C(OC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C21H20O9 ChemAxon inchi InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3 ChemAxon inchikey QKPDYSSHOSPOKH-UHFFFAOYSA-N ChemAxon polar_surface_area 153.75 ChemAxon refractivity 102.3 ChemAxon polarizability 40.7 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20826 Specdb::CMs 42076 Specdb::CMs 154966 Specdb::MsMs 10256 Specdb::MsMs 10257 Specdb::MsMs 10258 Specdb::MsMs 16928 Specdb::MsMs 16929 Specdb::MsMs 16930 Specdb::MsMs 2677371 Specdb::MsMs 2677372 Specdb::MsMs 2677373 Specdb::MsMs 3028769 Specdb::MsMs 3028770 Specdb::MsMs 3028771 HMDB30671 #<Reference:0x000055ce315b5180> Garden rhubarb Type 1 specific Rheum rhabarbarum 3621 Green vegetables Unknown generic