1.0 2010-04-08 22:13:11 UTC 2019-11-26 03:14:57 UTC FDB017599 Enterocin 900 Production by Enterococcus faecium BFE900 from black olives. Enterocin 900 is found in fruits. C31H33NO2 451.5992 451.251129305 1-[2-(4-{5-phenyl-4-oxatricyclo[7.5.0.0³,⁷]tetradeca-1,3(7),5,8-tetraen-6-yl}phenoxy)ethyl]pyrrolidine 1-[2-(4-{5-phenyl-4-oxatricyclo[7.5.0.0³,⁷]tetradeca-1,3(7),5,8-tetraen-6-yl}phenoxy)ethyl]pyrrolidine 179530-08-6 C(CN1CCCC1)OC1=CC=C(C=C1)C1=C(OC2=C1C=C1CCCCCC1=C2)C1=CC=CC=C1 InChI=1S/C31H33NO2/c1-3-9-24(10-4-1)31-30(28-21-25-11-5-2-6-12-26(25)22-29(28)34-31)23-13-15-27(16-14-23)33-20-19-32-17-7-8-18-32/h1,3-4,9-10,13-16,21-22H,2,5-8,11-12,17-20H2 LSRSTEGFQPNESQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 2-phenylbenzofurans Alkyl aryl ethers Azacyclic compounds Furans Heteroaromatic compounds Hydrocarbon derivatives N-alkylpyrrolidines Organopnictogen compounds Oxacyclic compounds Phenol ethers Phenoxy compounds Trialkylamines 2-arylbenzofuran flavonoid 2-phenylbenzofuran Alkyl aryl ether Amine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzofuran Ether Furan Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety N-alkylpyrrolidine Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenol ether Phenoxy compound Phenylbenzofuran Pyrrolidine Tertiary aliphatic amine Tertiary amine logp 8.16 ALOGPS logs -5.61 ALOGPS solubility 1.10e-03 g/l ALOGPS logp 7.51 ChemAxon pka_strongest_basic 8.93 ChemAxon iupac 1-[2-(4-{5-phenyl-4-oxatricyclo[7.5.0.0³,⁷]tetradeca-1,3(7),5,8-tetraen-6-yl}phenoxy)ethyl]pyrrolidine ChemAxon average_mass 451.5992 ChemAxon mono_mass 451.251129305 ChemAxon smiles C(CN1CCCC1)OC1=CC=C(C=C1)C1=C(OC2=C1C=C1CCCCCC1=C2)C1=CC=CC=C1 ChemAxon formula C31H33NO2 ChemAxon inchi InChI=1S/C31H33NO2/c1-3-9-24(10-4-1)31-30(28-21-25-11-5-2-6-12-26(25)22-29(28)34-31)23-13-15-27(16-14-23)33-20-19-32-17-7-8-18-32/h1,3-4,9-10,13-16,21-22H,2,5-8,11-12,17-20H2 ChemAxon inchikey LSRSTEGFQPNESQ-UHFFFAOYSA-N ChemAxon polar_surface_area 25.61 ChemAxon refractivity 139.16 ChemAxon polarizability 54.6 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18086 Specdb::CMs 130969 Specdb::CMs 138703 Specdb::MsMs 46875 Specdb::MsMs 46876 Specdb::MsMs 46877 Specdb::MsMs 173997 Specdb::MsMs 173998 Specdb::MsMs 173999 Specdb::MsMs 2662858 Specdb::MsMs 2662859 Specdb::MsMs 2662860 Specdb::MsMs 3016107 Specdb::MsMs 3016108 Specdb::MsMs 3016109 HMDB38284 #<Reference:0x000055ce33230a30> Fruits Unknown generic