1.0 2010-04-08 22:11:54 UTC 2019-11-26 03:11:46 UTC FDB015533 (+)-Chebulic acid Isolated from Phyllanthus emblica (emblic). (+)-Chebulic acid is found in fruits. C14H12O11 356.2385 356.037961226 2-(3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)butanedioic acid chebulic acid OC(=O)CC(C1C(OC(=O)C2=CC(O)=C(O)C(O)=C12)C(O)=O)C(O)=O InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23) COZMWVAACFYLBI-UHFFFAOYSA-N belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Tetracarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-benzopyrans Carbonyl compounds Carboxylic acid esters Carboxylic acids Gallic acid and derivatives Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Polyols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-benzopyran Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid Carboxylic acid ester Gallic acid or derivatives Hydrocarbon derivative Isochromane Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Tetracarboxylic acid or derivatives logp 1.62 ALOGPS logs -1.83 ALOGPS solubility 5.32e+00 g/l ALOGPS logp -0.25 ChemAxon pka_strongest_acidic 2.49 ChemAxon pka_strongest_basic -6.1 ChemAxon iupac 2-(3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)butanedioic acid ChemAxon average_mass 356.2385 ChemAxon mono_mass 356.037961226 ChemAxon smiles OC(=O)CC(C1C(OC(=O)C2=CC(O)=C(O)C(O)=C12)C(O)=O)C(O)=O ChemAxon formula C14H12O11 ChemAxon inchi InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23) ChemAxon inchikey COZMWVAACFYLBI-UHFFFAOYSA-N ChemAxon polar_surface_area 198.89 ChemAxon refractivity 74.74 ChemAxon polarizability 29.96 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9728 Specdb::MsMs 9729 Specdb::MsMs 9730 Specdb::MsMs 16400 Specdb::MsMs 16401 Specdb::MsMs 16402 Specdb::MsMs 2804031 Specdb::MsMs 2804032 Specdb::MsMs 2804033 Specdb::MsMs 2875397 Specdb::MsMs 2875398 Specdb::MsMs 2875399 Specdb::CMs 19141 Specdb::CMs 44932 Specdb::CMs 130526 Specdb::CMs 138260 Specdb::CMs 149560 Specdb::CMs 149562 Specdb::CMs 149564 Specdb::CMs 149566 Specdb::CMs 279737 Specdb::NmrOneD 136690 Specdb::NmrOneD 136691 Specdb::NmrOneD 136692 Specdb::NmrOneD 136693 Specdb::NmrOneD 136694 Specdb::NmrOneD 136695 Specdb::NmrOneD 136696 Specdb::NmrOneD 136697 Specdb::NmrOneD 136698 Specdb::NmrOneD 136699 Specdb::NmrOneD 136700 Specdb::NmrOneD 136701 Specdb::NmrOneD 136702 Specdb::NmrOneD 136703 Specdb::NmrOneD 136704 Specdb::NmrOneD 136705 Specdb::NmrOneD 136706 Specdb::NmrOneD 136707 Specdb::NmrOneD 136708 Specdb::NmrOneD 136709 HMDB36617 #<Reference:0x000055ce33209958> Fruits Unknown generic