1.0 2010-04-08 22:14:20 UTC 2025-11-19 02:19:30 UTC FDB019413 Pandamarilactone 1 Alkaloid from leaves of Pandanus amaryllifolius. Food flavouring C18H23NO4 317.3795 317.162708229 3-methyl-6-{4-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl}-1-oxa-6-azaspiro[4.5]dec-3-en-2-one 3-methyl-6-{4-[(2Z)-4-methyl-5-oxofuran-2-ylidene]butyl}-1-oxa-6-azaspiro[4.5]dec-3-en-2-one 152606-63-8 CC1=C\C(OC1=O)=C\CCCN1CCCCC11OC(=O)C(C)=C1 InChI=1S/C18H23NO4/c1-13-11-15(22-16(13)20)7-3-5-9-19-10-6-4-8-18(19)12-14(2)17(21)23-18/h7,11-12H,3-6,8-10H2,1-2H3/b15-7- IMWDTVAWMRQOGN-CHHVJCJISA-N belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. Azaspirodecane derivatives Organic compounds Organoheterocyclic compounds Azaspirodecane derivatives Aliphatic heteropolycyclic compounds Azacyclic compounds Butenolides Carbonyl compounds Dicarboxylic acids and derivatives Enoate esters Enol esters Hydrocarbon derivatives Lactones Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Piperidines 2-furanone Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Azacycle Azaspirodecane Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Dihydrofuran Enoate ester Enol ester Hydrocarbon derivative Lactone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Piperidine logp 2.78 ALOGPS logs -3.16 ALOGPS solubility 2.18e-01 g/l ALOGPS logp 3.64 ChemAxon pka_strongest_basic 3.67 ChemAxon iupac 3-methyl-6-{4-[(2Z)-4-methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl}-1-oxa-6-azaspiro[4.5]dec-3-en-2-one ChemAxon average_mass 317.3795 ChemAxon mono_mass 317.162708229 ChemAxon smiles CC1=C\C(OC1=O)=C\CCCN1CCCCC11OC(=O)C(C)=C1 ChemAxon formula C18H23NO4 ChemAxon inchi InChI=1S/C18H23NO4/c1-13-11-15(22-16(13)20)7-3-5-9-19-10-6-4-8-18(19)12-14(2)17(21)23-18/h7,11-12H,3-6,8-10H2,1-2H3/b15-7- ChemAxon inchikey IMWDTVAWMRQOGN-CHHVJCJISA-N ChemAxon polar_surface_area 55.84 ChemAxon refractivity 89.63 ChemAxon polarizability 34.88 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15255 Specdb::CMs 160346 Specdb::MsMs 89745 Specdb::MsMs 89746 Specdb::MsMs 89747 Specdb::MsMs 152733 Specdb::MsMs 152734 Specdb::MsMs 152735 Specdb::MsMs 2844434 Specdb::MsMs 2844435 Specdb::MsMs 2844436 Specdb::MsMs 2862073 Specdb::MsMs 2862074 Specdb::MsMs 2862075 HMDB39765 #<Reference:0x000055ce323aed40>