1.0 2010-04-08 22:13:27 UTC 2019-11-26 03:15:34 UTC FDB018012 Acidissiminol Alkaloid from the fruit of Limonia acidissima (wood apple). Acidissiminol is found in beverages and fruits. C25H31NO3 393.5185 393.230393863 N-[2-(4-{[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)ethyl]benzamide N-[2-(4-{[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)ethyl]benzamide 126006-00-6 CC(C)=CCC(O)C(\C)=C\COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1 InChI=1S/C25H31NO3/c1-19(2)9-14-24(27)20(3)16-18-29-23-12-10-21(11-13-23)15-17-26-25(28)22-7-5-4-6-8-22/h4-13,16,24,27H,14-15,17-18H2,1-3H3,(H,26,28)/b20-16+ FDTDKBQVKSHHIE-CAPFRKAQSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic homomonocyclic compounds Alkyl aryl ethers Benzamides Benzoyl derivatives Hydrocarbon derivatives Monocyclic monoterpenoids Organic oxides Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds Secondary alcohols Secondary carboxylic acid amides Alcohol Alkyl aryl ether Aromatic homomonocyclic compound Aromatic monoterpenoid Benzamide Benzenoid Benzoic acid or derivatives Benzoyl Carboxamide group Carboxylic acid derivative Ether Hydrocarbon derivative Monocyclic benzene moiety Monocyclic monoterpenoid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Secondary alcohol Secondary carboxylic acid amide logp 4.65 ALOGPS logs -5.58 ALOGPS solubility 1.03e-03 g/l ALOGPS melting_point Mp 85-87° logp 4.69 ChemAxon pka_strongest_acidic 14.42 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac N-[2-(4-{[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)ethyl]benzamide ChemAxon average_mass 393.5185 ChemAxon mono_mass 393.230393863 ChemAxon smiles CC(C)=CCC(O)C(\C)=C\COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1 ChemAxon formula C25H31NO3 ChemAxon inchi InChI=1S/C25H31NO3/c1-19(2)9-14-24(27)20(3)16-18-29-23-12-10-21(11-13-23)15-17-26-25(28)22-7-5-4-6-8-22/h4-13,16,24,27H,14-15,17-18H2,1-3H3,(H,26,28)/b20-16+ ChemAxon inchikey FDTDKBQVKSHHIE-CAPFRKAQSA-N ChemAxon polar_surface_area 58.56 ChemAxon refractivity 120.3 ChemAxon polarizability 46.59 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9942 Specdb::CMs 45943 Specdb::CMs 174096 Specdb::MsMs 49386 Specdb::MsMs 49387 Specdb::MsMs 49388 Specdb::MsMs 154707 Specdb::MsMs 154708 Specdb::MsMs 154709 Specdb::MsMs 2731195 Specdb::MsMs 2731196 Specdb::MsMs 2731197 Specdb::MsMs 2977037 Specdb::MsMs 2977038 Specdb::MsMs 2977039 HMDB38618 #<Reference:0x000055ce2f0054d0> Beverages Unknown generic Fruits Unknown generic