1.0 2010-04-08 22:07:53 UTC 2025-11-18 23:06:07 UTC FDB008008 Zosimin Zosimin is a member of the class of compounds known as angular furanocoumarins. Angular furanocoumarins are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. Zosimin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Zosimin can be found in carrot and wild carrot, which makes zosimin a potential biomarker for the consumption of these food products. Columbianadin C19H20O5 328.3591 328.13107375 2-[(8S)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate 2-[(8S)-2-oxo-8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate 5058-13-9 C\C=C(\C)C(=O)OC(C)(C)[C@H]1OC2=C(C1)C1=C(C=C2)C=CC(=O)O1 InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1 JRIBPWOXWIRQOQ-GHAIFCDISA-N belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. Angular furanocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Carbonyl compounds Coumarans Enoate esters Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Angular furanocoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Coumaran Enoate ester Ether Fatty acid ester Fatty acyl Heteroaromatic compound Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 3.78 ALOGPS logs -4.81 ALOGPS solubility 5.04e-03 g/l ALOGPS logp 3.95 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-[(8S)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate ChemAxon average_mass 328.3591 ChemAxon mono_mass 328.13107375 ChemAxon smiles C\C=C(\C)C(=O)OC(C)(C)[C@H]1OC2=C(C1)C1=C(C=C2)C=CC(=O)O1 ChemAxon formula C19H20O5 ChemAxon inchi InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1 ChemAxon inchikey JRIBPWOXWIRQOQ-GHAIFCDISA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 90.17 ChemAxon polarizability 34.84 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105921 Specdb::MsMs 105922 Specdb::MsMs 105923 Specdb::MsMs 172542 Specdb::MsMs 172543 Specdb::MsMs 172544 Specdb::MsMs 3604643 Specdb::MsMs 3604644 Specdb::MsMs 3604645 Specdb::MsMs 3604646 Specdb::MsMs 3604647 Specdb::MsMs 3604648 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Wild carrot Type 1 specific Daucus carota 4039