1.0 2010-04-08 22:14:11 UTC 2019-11-26 03:17:12 UTC FDB019185 Marmesin rhamnoside Isolated from the stem bark of Aegle marmelos (bael fruit). Marmesin rhamnoside is found in fruits. Marmesin rhamnoside C20H24O8 392.3998 392.147117744 2-{2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]propan-2-yl}-2H,3H,7H-furo[3,2-g]chromen-7-one 2-{2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]propan-2-yl}-2H,3H-furo[3,2-g]chromen-7-one 142347-99-7 CC1OC(OC(C)(C)C2CC3=C(O2)C=C2OC(=O)C=CC2=C3)C(O)C(O)C1O InChI=1S/C20H24O8/c1-9-16(22)17(23)18(24)19(25-9)28-20(2,3)14-7-11-6-10-4-5-15(21)27-12(10)8-13(11)26-14/h4-6,8-9,14,16-19,22-24H,7H2,1-3H3 HOSJGHRJSDQCPE-UHFFFAOYSA-N belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Psoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Acetals Alkyl aryl ethers Benzenoids Coumarans Heteroaromatic compounds Hexoses Hydrocarbon derivatives Lactones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols 1-benzopyran Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumaran Ether Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Lactone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Psoralen Pyran Pyranone Secondary alcohol logp 1.13 ALOGPS logs -2.49 ALOGPS solubility 1.26e+00 g/l ALOGPS melting_point Mp 140-142° logp 1.01 ChemAxon pka_strongest_acidic 12.22 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]propan-2-yl}-2H,3H,7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 392.3998 ChemAxon mono_mass 392.147117744 ChemAxon smiles CC1OC(OC(C)(C)C2CC3=C(O2)C=C2OC(=O)C=CC2=C3)C(O)C(O)C1O ChemAxon formula C20H24O8 ChemAxon inchi InChI=1S/C20H24O8/c1-9-16(22)17(23)18(24)19(25-9)28-20(2,3)14-7-11-6-10-4-5-15(21)27-12(10)8-13(11)26-14/h4-6,8-9,14,16-19,22-24H,7H2,1-3H3 ChemAxon inchikey HOSJGHRJSDQCPE-UHFFFAOYSA-N ChemAxon polar_surface_area 114.68 ChemAxon refractivity 97.21 ChemAxon polarizability 40.19 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12842 Specdb::CMs 46457 Specdb::CMs 174309 Specdb::MsMs 79056 Specdb::MsMs 79057 Specdb::MsMs 79058 Specdb::MsMs 139554 Specdb::MsMs 139555 Specdb::MsMs 139556 Specdb::MsMs 3049907 Specdb::MsMs 3049908 Specdb::MsMs 3049909 Specdb::MsMs 3118052 Specdb::MsMs 3118053 Specdb::MsMs 3118054 HMDB39564 #<Reference:0x000055ce2efe5ea0> Fruits Unknown generic