1.0 2010-04-08 22:15:08 UTC 2019-11-26 03:19:12 UTC FDB020608 Dihydroxyacidissiminol Alkaloid from fruits of Limonia acidissima (wood apple). Dihydroxyacidissiminol is found in beverages and fruits. Dihydroxyacidissiminol C25H33NO5 427.5332 427.235873171 N-[2-(4-{[(2E)-4,6,7-trihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}phenyl)ethyl]benzamide N-[2-(4-{[(2E)-4,6,7-trihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}phenyl)ethyl]benzamide 160387-10-0 C\C(=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1)C(O)CC(O)C(C)(C)O InChI=1S/C25H33NO5/c1-18(22(27)17-23(28)25(2,3)30)14-16-31-21-11-9-19(10-12-21)13-15-26-24(29)20-7-5-4-6-8-20/h4-12,14,22-23,27-28,30H,13,15-17H2,1-3H3,(H,26,29)/b18-14+ GDCAKUNBXRNADM-NBVRZTHBSA-N belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. Benzamides Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Benzoyl derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds Polyols Secondary alcohols Secondary carboxylic acid amides Tertiary alcohols Alcohol Alkyl aryl ether Aromatic homomonocyclic compound Benzamide Benzoyl Carboxamide group Carboxylic acid derivative Ether Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Polyol Secondary alcohol Secondary carboxylic acid amide Tertiary alcohol logp 2.82 ALOGPS logs -4.81 ALOGPS solubility 6.56e-03 g/l ALOGPS logp 2.48 ChemAxon pka_strongest_acidic 13.69 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac N-[2-(4-{[(2E)-4,6,7-trihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}phenyl)ethyl]benzamide ChemAxon average_mass 427.5332 ChemAxon mono_mass 427.235873171 ChemAxon smiles C\C(=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1)C(O)CC(O)C(C)(C)O ChemAxon formula C25H33NO5 ChemAxon inchi InChI=1S/C25H33NO5/c1-18(22(27)17-23(28)25(2,3)30)14-16-31-21-11-9-19(10-12-21)13-15-26-24(29)20-7-5-4-6-8-20/h4-12,14,22-23,27-28,30H,13,15-17H2,1-3H3,(H,26,29)/b18-14+ ChemAxon inchikey GDCAKUNBXRNADM-NBVRZTHBSA-N ChemAxon polar_surface_area 99.02 ChemAxon refractivity 122.6 ChemAxon polarizability 48.78 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19746 Specdb::CMs 46968 Specdb::CMs 151258 Specdb::MsMs 309940 Specdb::MsMs 309941 Specdb::MsMs 309942 Specdb::MsMs 354502 Specdb::MsMs 354503 Specdb::MsMs 354504 Specdb::MsMs 2833086 Specdb::MsMs 2833087 Specdb::MsMs 2833088 Specdb::MsMs 2849024 Specdb::MsMs 2849025 Specdb::MsMs 2849026 HMDB40792 #<Reference:0x000055ce320aab58> Beverages Unknown generic Fruits Unknown generic