1.0 2010-04-08 22:11:43 UTC 2015-07-20 23:15:52 UTC FDB015234 Pandanamine Food flavouring. Alkaloid from Pandanus amaryllifolius C18H23NO4 317.3795 317.162708229 (5Z)-3-methyl-5-[4-({4-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl}amino)butylidene]-2,5-dihydrofuran-2-one (5Z)-3-methyl-5-[4-({4-[(2Z)-4-methyl-5-oxofuran-2-ylidene]butyl}amino)butylidene]furan-2-one CC1=C\C(OC1=O)=C\CCCNCCC\C=C1/OC(=O)C(C)=C1 InChI=1S/C18H23NO4/c1-13-11-15(22-17(13)20)7-3-5-9-19-10-6-4-8-16-12-14(2)18(21)23-16/h7-8,11-12,19H,3-6,9-10H2,1-2H3/b15-7-,16-8- UFHQEIRNGIAWOB-DUGOVBPYSA-N belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. Butenolides Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Aliphatic heteromonocyclic compounds Amino acids and derivatives Carbonyl compounds Dialkylamines Dicarboxylic acids and derivatives Enoate esters Enol esters Hydrocarbon derivatives Lactones Organic oxides Organopnictogen compounds Oxacyclic compounds 2-furanone Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Amine Amino acid or derivatives Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Enol ester Hydrocarbon derivative Lactone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Secondary aliphatic amine Secondary amine logp 3.40 ALOGPS logs -4.31 ALOGPS solubility 1.55e-02 g/l ALOGPS logp 2.83 ChemAxon pka_strongest_basic 10.82 ChemAxon iupac (5Z)-3-methyl-5-[4-({4-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl}amino)butylidene]-2,5-dihydrofuran-2-one ChemAxon average_mass 317.3795 ChemAxon mono_mass 317.162708229 ChemAxon smiles CC1=C\C(OC1=O)=C\CCCNCCC\C=C1/OC(=O)C(C)=C1 ChemAxon formula C18H23NO4 ChemAxon inchi InChI=1S/C18H23NO4/c1-13-11-15(22-17(13)20)7-3-5-9-19-10-6-4-8-16-12-14(2)18(21)23-16/h7-8,11-12,19H,3-6,9-10H2,1-2H3/b15-7-,16-8- ChemAxon inchikey UFHQEIRNGIAWOB-DUGOVBPYSA-N ChemAxon polar_surface_area 64.63 ChemAxon refractivity 92.51 ChemAxon polarizability 35.66 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12617 Specdb::CMs 155558 Specdb::MsMs 87501 Specdb::MsMs 87502 Specdb::MsMs 87503 Specdb::MsMs 150021 Specdb::MsMs 150022 Specdb::MsMs 150023 Specdb::MsMs 2368593 Specdb::MsMs 2368594 Specdb::MsMs 2368595 Specdb::MsMs 2566328 Specdb::MsMs 2566329 Specdb::MsMs 2566330 HMDB36359 #<Reference:0x000055ce2f3b8f50>