1.0 2011-09-21 01:51:26 UTC 2018-05-28 18:38:24 UTC FDB029187 7'-Carboxy-gamma-chromanol 7'-Carboxy-gama-tocopherol is a dehydrogenation carboxylate product of 7'-hydroxy-r-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate r-Tocopherol provides different antioxidant activities in food and in-vitro studies and showed higher activity in trapping lipophilic electrophiles and reactive nitrogen and oxygen species. From the metabolism end product, only that of r-tocopherol (2,7,8-trimethyl-2-(b-carboxyethyl)-6-hydroxychroman), but not that of a-tocopherol, was identified to provide natriuretic activity. Only the r-tocopherol plasma level served as biomarker for cancer and cardiovascular risk. [HMDB] 2,7,8-trimethyl-2-(6'-carboxy-4'-methylhexyl)-6-chromanol 2,7,8-trimethyl-2-(6'-carboxy-4'-methylhexyl)-6-hydroxychroman C20H30O4 334.4498 334.214409448 (4R)-7-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-4-methylheptanoic acid (4R)-7-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-1-benzopyran-2-yl]-4-methylheptanoic acid 1221262-13-0 C[C@H](CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2)CCC(O)=O InChI=1S/C20H30O4/c1-13(7-8-18(22)23)6-5-10-20(4)11-9-16-12-17(21)14(2)15(3)19(16)24-20/h12-13,21H,5-11H2,1-4H3,(H,22,23)/t13-,20-/m1/s1 JFXDIXKMINYLIK-ZUOKHONESA-N belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. 1-benzopyrans Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Carbonyl compounds Carboxylic acids Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Ether Fatty acid Fatty acyl Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Solid logp 4.62 ALOGPS logs -4.76 ALOGPS solubility 5.78e-03 g/l ALOGPS logp 5.43 ChemAxon pka_strongest_acidic 4.65 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (4R)-7-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-4-methylheptanoic acid ChemAxon average_mass 334.4498 ChemAxon mono_mass 334.214409448 ChemAxon smiles C[C@H](CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2)CCC(O)=O ChemAxon formula C20H30O4 ChemAxon inchi InChI=1S/C20H30O4/c1-13(7-8-18(22)23)6-5-10-20(4)11-9-16-12-17(21)14(2)15(3)19(16)24-20/h12-13,21H,5-11H2,1-4H3,(H,22,23)/t13-,20-/m1/s1 ChemAxon inchikey JFXDIXKMINYLIK-ZUOKHONESA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 95.3 ChemAxon polarizability 38.87 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9327 Specdb::CMs 40004 Specdb::MsMs 286600 Specdb::MsMs 286601 Specdb::MsMs 286602 Specdb::MsMs 325216 Specdb::MsMs 325217 Specdb::MsMs 325218 HMDB12850