1.0 2010-04-08 22:05:12 UTC 2018-05-28 22:11:17 UTC FDB002003 (E,E,E)-Sylvatine Alkaloid from Piper chaba (Javanese long pepper) and several other Piper subspecies (Piperaceae). Sylvatine C24H33NO3 383.5237 383.246043927 (Z,2E,4Z)-5-(2H-1,3-benzodioxol-5-yl)-N-[(5E)-10-methylundec-5-en-1-yl]penta-2,4-dienimidic acid (Z,2E,4Z)-5-(2H-1,3-benzodioxol-5-yl)-N-[(5E)-10-methylundec-5-en-1-yl]penta-2,4-dienimidic acid 42438-80-2 CC(C)CCC\C=C\CCCC\N=C(/O)\C=C\C=C/C1=CC2=C(OCO2)C=C1 InChI=1S/C24H33NO3/c1-20(2)12-8-6-4-3-5-7-11-17-25-24(26)14-10-9-13-21-15-16-22-23(18-21)28-19-27-22/h3-4,9-10,13-16,18,20H,5-8,11-12,17,19H2,1-2H3,(H,25,26)/b4-3+,13-9-,14-10+ URFYPQQKBYOWIX-SWZGVYIDSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Acetals Carboximidic acids Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Styrenes Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Carboximidic acid Carboximidic acid derivative Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Propargyl-type 1,3-dipolar organic compound Styrene logp 6.88 ALOGPS logs -6.66 ALOGPS solubility 8.48e-05 g/l ALOGPS melting_point Mp 116-117° (111-112°) logp 6.88 ChemAxon pka_strongest_acidic 7.78 ChemAxon pka_strongest_basic 5.23 ChemAxon iupac (Z,2E,4Z)-5-(2H-1,3-benzodioxol-5-yl)-N-[(5E)-10-methylundec-5-en-1-yl]penta-2,4-dienimidic acid ChemAxon average_mass 383.5237 ChemAxon mono_mass 383.246043927 ChemAxon smiles CC(C)CCC\C=C\CCCC\N=C(/O)\C=C\C=C/C1=CC2=C(OCO2)C=C1 ChemAxon formula C24H33NO3 ChemAxon inchi InChI=1S/C24H33NO3/c1-20(2)12-8-6-4-3-5-7-11-17-25-24(26)14-10-9-13-21-15-16-22-23(18-21)28-19-27-22/h3-4,9-10,13-16,18,20H,5-8,11-12,17,19H2,1-2H3,(H,25,26)/b4-3+,13-9-,14-10+ ChemAxon inchikey URFYPQQKBYOWIX-SWZGVYIDSA-N ChemAxon polar_surface_area 51.05 ChemAxon refractivity 118.13 ChemAxon polarizability 46.68 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12771 Specdb::CMs 41808 Specdb::CMs 136863 Specdb::CMs 144597 Specdb::MsMs 101631 Specdb::MsMs 101632 Specdb::MsMs 101633 Specdb::MsMs 167277 Specdb::MsMs 167278 Specdb::MsMs 167279 Specdb::MsMs 2777846 Specdb::MsMs 2777847 Specdb::MsMs 2777848 Specdb::MsMs 2901075 Specdb::MsMs 2901076 Specdb::MsMs 2901077 HMDB30186 #<Reference:0x000055ce30272460>