1.0 2010-04-08 22:11:43 UTC 2019-11-26 03:11:18 UTC FDB015223 Amlaic acid Constituent of the leaves of Phyllanthus emblica (emblic). Amlaic acid is found in fruits. C27H24O19 652.4681 652.091178586 11,12,13,22-tetrahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-19-(3,4,5-trihydroxybenzoyloxy)-2,5,17,20-tetraoxatetracyclo[16.3.1.0⁴,⁹.0¹⁰,¹⁵]docosa-10(15),11,13-triene-8-carboxylic acid 11,12,13,22-tetrahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-19-(3,4,5-trihydroxybenzoyloxy)-2,5,17,20-tetraoxatetracyclo[16.3.1.0⁴,⁹.0¹⁰,¹⁵]docosa-10(15),11,13-triene-8-carboxylic acid 17278-02-3 OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=C(C4C(CC(=O)OC4C(=O)OC1C2O)C(O)=O)C(O)=C(O)C(O)=C3 InChI=1S/C27H24O19/c28-5-12-20-19(36)22(27(42-12)46-24(39)6-1-9(29)16(33)10(30)2-6)45-25(40)8-3-11(31)17(34)18(35)14(8)15-7(23(37)38)4-13(32)43-21(15)26(41)44-20/h1-3,7,12,15,19-22,27-31,33-36H,4-5H2,(H,37,38) KFDXRACNJCIDON-UHFFFAOYSA-N belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). Tannins Organic compounds Phenylpropanoids and polyketides Tannins Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Delta valerolactones Galloyl esters Hydrocarbon derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Pentacarboxylic acids and derivatives Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Lactone M-hydroxybenzoic acid ester Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Pentacarboxylic acid or derivatives Phenol Polyol Primary alcohol Pyrogallol derivative Secondary alcohol Tannin logp 1.61 ALOGPS logs -1.84 ALOGPS solubility 9.34e+00 g/l ALOGPS melting_point Mp 206° logp -0.27 ChemAxon pka_strongest_acidic 3.17 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 11,12,13,22-tetrahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-19-(3,4,5-trihydroxybenzoyloxy)-2,5,17,20-tetraoxatetracyclo[16.3.1.0⁴,⁹.0¹⁰,¹⁵]docosa-10(15),11,13-triene-8-carboxylic acid ChemAxon average_mass 652.4681 ChemAxon mono_mass 652.091178586 ChemAxon smiles OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=C(C4C(CC(=O)OC4C(=O)OC1C2O)C(O)=O)C(O)=C(O)C(O)=C3 ChemAxon formula C27H24O19 ChemAxon inchi InChI=1S/C27H24O19/c28-5-12-20-19(36)22(27(42-12)46-24(39)6-1-9(29)16(33)10(30)2-6)45-25(40)8-3-11(31)17(34)18(35)14(8)15-7(23(37)38)4-13(32)43-21(15)26(41)44-20/h1-3,7,12,15,19-22,27-31,33-36H,4-5H2,(H,37,38) ChemAxon inchikey KFDXRACNJCIDON-UHFFFAOYSA-N ChemAxon polar_surface_area 313.57 ChemAxon refractivity 139.45 ChemAxon polarizability 58.2 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 135890 Specdb::NmrOneD 135891 Specdb::NmrOneD 135892 Specdb::NmrOneD 135893 Specdb::NmrOneD 135894 Specdb::NmrOneD 135895 Specdb::NmrOneD 135896 Specdb::NmrOneD 135897 Specdb::NmrOneD 135898 Specdb::NmrOneD 135899 Specdb::NmrOneD 135900 Specdb::NmrOneD 135901 Specdb::NmrOneD 135902 Specdb::NmrOneD 135903 Specdb::NmrOneD 135904 Specdb::NmrOneD 135905 Specdb::NmrOneD 135906 Specdb::NmrOneD 135907 Specdb::NmrOneD 135908 Specdb::NmrOneD 135909 Specdb::CMs 21315 Specdb::CMs 644722 Specdb::CMs 644723 Specdb::CMs 644724 Specdb::CMs 644725 Specdb::CMs 644726 Specdb::CMs 644727 Specdb::CMs 644728 Specdb::CMs 644729 Specdb::CMs 644730 Specdb::CMs 644731 Specdb::CMs 644732 Specdb::CMs 644733 Specdb::CMs 644734 Specdb::CMs 644735 Specdb::CMs 644736 Specdb::CMs 644737 Specdb::CMs 644738 Specdb::CMs 644739 Specdb::CMs 644740 Specdb::CMs 644741 Specdb::CMs 644742 Specdb::CMs 644743 Specdb::CMs 644744 Specdb::CMs 644745 Specdb::MsMs 71367 Specdb::MsMs 71368 Specdb::MsMs 71369 Specdb::MsMs 130017 Specdb::MsMs 130018 Specdb::MsMs 130019 Specdb::MsMs 2724734 Specdb::MsMs 2724735 Specdb::MsMs 2724736 Specdb::MsMs 2957166 Specdb::MsMs 2957167 Specdb::MsMs 2957168 HMDB36349 #<Reference:0x000055ce30101630> Fruits Unknown generic