1.0 2010-04-08 22:04:38 UTC 2020-02-24 19:10:09 UTC FDB000586 Erosnin Constituent of the yam bean (Pachyrrhizus erosus). Erosnin is found in jicama and pulses. Erosinin Erosnine C18H8O6 320.2525 320.032087988 7,11,17,19,23-pentaoxahexacyclo[11.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tricosa-1(13),2,4(8),5,9,14,16(20),21-octaen-12-one 7,11,17,19,23-pentaoxahexacyclo[11.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tricosa-1(13),2,4(8),5,9,14,16(20),21-octaen-12-one O=C1OC2=CC3=C(C=CO3)C=C2C2=C1C1=CC3=C(OCO3)C=C1O2 InChI=1S/C18H8O6/c19-18-16-9-4-14-15(22-7-21-14)6-12(9)23-17(16)10-3-8-1-2-20-11(8)5-13(10)24-18/h1-6H,7H2 YQXNKHVPEJJBTJ-UHFFFAOYSA-N belongs to the class of organic compounds known as coumestans. These are polycyclic aromatic compounds containing a coumestan moiety, which consists of a benzoxole fused to a chromen-2-one to form 1-Benzoxolo[3,2-c]chromen-6-one. They are oxidation products of pterocarpan. Coumestans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Coumestans Aromatic heteropolycyclic compounds 1-benzopyrans Acetals Angular furanocoumarins Benzenoids Benzodioxoles Benzofurans Furans Furopyrans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Psoralens Pyranones and derivatives 1-benzopyran Acetal Angular furanocoumarin Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzofuran Benzopyran Coumarin Coumestan Furan Furanocoumarin Furopyran Heteroaromatic compound Hydrocarbon derivative Lactone Linear furanocoumarin Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Psoralen Pyran Pyranone Coumestan flavonoids logp 3.01 ALOGPS logs -3.73 ALOGPS solubility 6.03e-02 g/l ALOGPS melting_point Mp 350° dec. approx. logp 2.79 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 7,11,17,19,23-pentaoxahexacyclo[11.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tricosa-1(13),2,4(8),5,9,14,16(20),21-octaen-12-one ChemAxon average_mass 320.2525 ChemAxon mono_mass 320.032087988 ChemAxon smiles O=C1OC2=CC3=C(C=CO3)C=C2C2=C1C1=CC3=C(OCO3)C=C1O2 ChemAxon formula C18H8O6 ChemAxon inchi InChI=1S/C18H8O6/c19-18-16-9-4-14-15(22-7-21-14)6-12(9)23-17(16)10-3-8-1-2-20-11(8)5-13(10)24-18/h1-6H,7H2 ChemAxon inchikey YQXNKHVPEJJBTJ-UHFFFAOYSA-N ChemAxon polar_surface_area 71.04 ChemAxon refractivity 80.27 ChemAxon polarizability 31.94 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21861 Specdb::CMs 137332 Specdb::CMs 145066 Specdb::MsMs 51864 Specdb::MsMs 51865 Specdb::MsMs 51866 Specdb::MsMs 165765 Specdb::MsMs 165766 Specdb::MsMs 165767 Specdb::MsMs 2433346 Specdb::MsMs 2433347 Specdb::MsMs 2433348 Specdb::MsMs 2504783 Specdb::MsMs 2504784 Specdb::MsMs 2504785 HMDB29465 #<Reference:0x000055ce31ec3060> Jicama Type 1 specific Pachyrhizus erosus 109171 Pulses Unknown generic