1.0 2010-04-08 22:10:54 UTC 2019-11-26 03:09:01 UTC FDB013772 Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate Constituent of Passiflora quadrangularis (giant grandilla). Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate is found in fruits. (2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate C15H24O7 316.3469 316.152203122 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-2,6-dimethylhepta-2,5-dienoate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-2,6-dimethylhepta-2,5-dienoate 261949-43-3 CC(C)=CC\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C15H24O7/c1-8(2)5-4-6-9(3)14(20)22-15-13(19)12(18)11(17)10(7-16)21-15/h5-6,10-13,15-19H,4,7H2,1-3H3/b9-6+ BHPXBBXWEPCSOK-RMKNXTFCSA-N belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Hexoses Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Carbonyl compounds Enoate esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Fatty acyl Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 0.07 ALOGPS logs -1.48 ALOGPS solubility 1.04e+01 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-2,6-dimethylhepta-2,5-dienoate ChemAxon average_mass 316.3469 ChemAxon mono_mass 316.152203122 ChemAxon smiles CC(C)=CC\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C15H24O7 ChemAxon inchi InChI=1S/C15H24O7/c1-8(2)5-4-6-9(3)14(20)22-15-13(19)12(18)11(17)10(7-16)21-15/h5-6,10-13,15-19H,4,7H2,1-3H3/b9-6+ ChemAxon inchikey BHPXBBXWEPCSOK-RMKNXTFCSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 78.95 ChemAxon polarizability 32.77 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17634 Specdb::CMs 44214 Specdb::CMs 164485 Specdb::MsMs 53121 Specdb::MsMs 53122 Specdb::MsMs 53123 Specdb::MsMs 136173 Specdb::MsMs 136174 Specdb::MsMs 136175 Specdb::MsMs 2725769 Specdb::MsMs 2725770 Specdb::MsMs 2725771 Specdb::MsMs 2956449 Specdb::MsMs 2956450 Specdb::MsMs 2956451 Specdb::NmrOneD 130118 Specdb::NmrOneD 130119 Specdb::NmrOneD 130120 Specdb::NmrOneD 130121 Specdb::NmrOneD 130122 Specdb::NmrOneD 130123 Specdb::NmrOneD 130124 Specdb::NmrOneD 130125 Specdb::NmrOneD 130126 Specdb::NmrOneD 130127 Specdb::NmrOneD 130128 Specdb::NmrOneD 130129 Specdb::NmrOneD 130130 Specdb::NmrOneD 130131 Specdb::NmrOneD 130132 Specdb::NmrOneD 130133 Specdb::NmrOneD 130134 Specdb::NmrOneD 130135 Specdb::NmrOneD 130136 Specdb::NmrOneD 130137 HMDB35136 #<Reference:0x000055ce333ef060> Fruits Unknown generic