1.0 2010-04-08 22:14:18 UTC 2025-11-19 02:19:11 UTC FDB019353 Samarangenin A Isolated from the leaf of Syzygium samarangense (Java apple) and Syzygium aqueum (water apple). Samarangenin A is found in fruits. C37H28O18 760.6074 760.127564092 (9R,10R,25R,33R)-3,5,15,16,20,21,22,29,31,33-decahydroxy-9-(3,4,5-trihydroxyphenyl)-8,11,18,26-tetraoxaheptacyclo[23.7.1.1^{6,10}.1^{13,17}.0^{2,7}.0^{19,24}.0^{27,32}]pentatriaconta-2,4,6,13,15,17(34),19,21,23,27,29,31-dodecaen-12-one (9R,10R,25R,33R)-3,5,15,16,20,21,22,29,31,33-decahydroxy-9-(3,4,5-trihydroxyphenyl)-8,11,18,26-tetraoxaheptacyclo[23.7.1.1^{6,10}.1^{13,17}.0^{2,7}.0^{19,24}.0^{27,32}]pentatriaconta-2,4,6,13,15,17(34),19,21,23,27,29,31-dodecaen-12-one 147103-18-2 O[C@H]1[C@@H]2OC3=CC(O)=CC(O)=C3C1C1=C3O[C@@H]([C@@H](CC3=C(O)C=C1O)OC(=O)C1=CC(OC3=C(O)C(O)=C(O)C=C23)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C37H28O18/c38-12-5-16(40)25-22(6-12)52-35-14-7-21(45)30(48)32(50)36(14)53-23-4-11(3-20(44)29(23)47)37(51)54-24-8-13-15(39)9-17(41)26(27(25)31(35)49)34(13)55-33(24)10-1-18(42)28(46)19(43)2-10/h1-7,9,24,27,31,33,35,38-50H,8H2/t24-,27?,31-,33-,35-/m1/s1 JENRLNPKDHPCHO-ZLLFRDDPSA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Biflavonoids and polyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Carboxylic acid esters Catechin gallates Diarylethers Epigallocatechins Gallic acid and derivatives Hydrocarbon derivatives Hydrolyzable tannins Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Proanthocyanidins Pyrogallols and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Bi- and polyflavonoid skeleton Carboxylic acid derivative Carboxylic acid ester Catechin Catechin gallate Chromane Diaryl ether Dihydroxybenzoic acid Epigallocatechin Ether Flavan Flavan-3-ol Gallic acid or derivatives Hydrocarbon derivative Hydrolyzable tannin Hydroxyflavonoid Lactone Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Proanthocyanidin Pyrogallol derivative Secondary alcohol Tannin logp 3.01 ALOGPS logs -3.39 ALOGPS solubility 3.09e-01 g/l ALOGPS logp 3.72 ChemAxon pka_strongest_acidic 7.55 ChemAxon pka_strongest_basic -6 ChemAxon iupac (9R,10R,25R,33R)-3,5,15,16,20,21,22,29,31,33-decahydroxy-9-(3,4,5-trihydroxyphenyl)-8,11,18,26-tetraoxaheptacyclo[23.7.1.1^{6,10}.1^{13,17}.0^{2,7}.0^{19,24}.0^{27,32}]pentatriaconta-2,4,6,13,15,17(34),19,21,23,27,29,31-dodecaen-12-one ChemAxon average_mass 760.6074 ChemAxon mono_mass 760.127564092 ChemAxon smiles O[C@H]1[C@@H]2OC3=CC(O)=CC(O)=C3C1C1=C3O[C@@H]([C@@H](CC3=C(O)C=C1O)OC(=O)C1=CC(OC3=C(O)C(O)=C(O)C=C23)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C37H28O18 ChemAxon inchi InChI=1S/C37H28O18/c38-12-5-16(40)25-22(6-12)52-35-14-7-21(45)30(48)32(50)36(14)53-23-4-11(3-20(44)29(23)47)37(51)54-24-8-13-15(39)9-17(41)26(27(25)31(35)49)34(13)55-33(24)10-1-18(42)28(46)19(43)2-10/h1-7,9,24,27,31,33,35,38-50H,8H2/t24-,27?,31-,33-,35-/m1/s1 ChemAxon inchikey JENRLNPKDHPCHO-ZLLFRDDPSA-N ChemAxon polar_surface_area 316.98 ChemAxon refractivity 184.44 ChemAxon polarizability 70.77 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 16 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB39717 #<Reference:0x000055ce304c4448> Fruits Unknown generic