1.0 2010-04-08 22:05:32 UTC 2020-02-24 19:10:38 UTC FDB002804 Archangelicin Constituent of the roots of Angelica archangelica (anglica). Archangelicin is found in many foods, some of which are fats and oils, green vegetables, herbs and spices, and angelica. Archanagelicine Archangelicin C24H26O7 426.459 426.167853186 2-(9-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propan-2-yl (2Z)-2-methylbut-2-enoate 2-(9-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-8H,9H-furo[2,3-h]chromen-8-yl)propan-2-yl (2Z)-2-methylbut-2-enoate 2607-56-9 C\C=C(\C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C(\C)=C/C InChI=1S/C24H26O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8- RVGGCRQPGKFZDS-PVRNWPCDSA-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 Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Lactones 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 Dicarboxylic acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 4.93 ALOGPS logs -5.12 ALOGPS solubility 3.22e-03 g/l ALOGPS melting_point Mp 107-108° (100.5-102°) logp 5.24 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-(9-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propan-2-yl (2Z)-2-methylbut-2-enoate ChemAxon average_mass 426.459 ChemAxon mono_mass 426.167853186 ChemAxon smiles C\C=C(\C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C(\C)=C/C ChemAxon formula C24H26O7 ChemAxon inchi InChI=1S/C24H26O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8- ChemAxon inchikey RVGGCRQPGKFZDS-PVRNWPCDSA-N ChemAxon polar_surface_area 88.13 ChemAxon refractivity 115.21 ChemAxon polarizability 44.27 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25713 Specdb::CMs 169138 Specdb::MsMs 64335 Specdb::MsMs 64336 Specdb::MsMs 64337 Specdb::MsMs 121464 Specdb::MsMs 121465 Specdb::MsMs 121466 Specdb::MsMs 2792447 Specdb::MsMs 2792448 Specdb::MsMs 2792449 Specdb::MsMs 2915954 Specdb::MsMs 2915955 Specdb::MsMs 2915956 HMDB30845 #<Reference:0x000055ce31db21d0> Angelica Type 1 specific Angelica keiskei 357850 Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic