1.0 2010-04-08 22:09:34 UTC 2025-11-18 23:26:03 UTC FDB011294 Foetidin Constituent of the roots of Ferula assa-foetida (asafoetida). Foetidin is found in herbs and spices and green vegetables. C24H30O4 382.4926 382.214409448 4-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one 4-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one 97165-40-7 CC1(C)C(O)CCC2(C)C(COC3=CC(=O)OC4=CC=CC=C34)C(=C)CCC12 InChI=1S/C24H30O4/c1-15-9-10-20-23(2,3)21(25)11-12-24(20,4)17(15)14-27-19-13-22(26)28-18-8-6-5-7-16(18)19/h5-8,13,17,20-21,25H,1,9-12,14H2,2-4H3 WLYRUZQGIVCRDD-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Cyclic alcohols and derivatives Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols Vinylogous esters 1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Cyclic alcohol Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Secondary alcohol Vinylogous ester logp 4.78 ALOGPS logs -5.15 ALOGPS solubility 2.68e-03 g/l ALOGPS melting_point Mp 176-178° logp 3.85 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 4-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one ChemAxon average_mass 382.4926 ChemAxon mono_mass 382.214409448 ChemAxon smiles CC1(C)C(O)CCC2(C)C(COC3=CC(=O)OC4=CC=CC=C34)C(=C)CCC12 ChemAxon formula C24H30O4 ChemAxon inchi InChI=1S/C24H30O4/c1-15-9-10-20-23(2,3)21(25)11-12-24(20,4)17(15)14-27-19-13-22(26)28-18-8-6-5-7-16(18)19/h5-8,13,17,20-21,25H,1,9-12,14H2,2-4H3 ChemAxon inchikey WLYRUZQGIVCRDD-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 109.77 ChemAxon polarizability 42.49 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13689 Specdb::CMs 43187 Specdb::CMs 136280 Specdb::CMs 144014 Specdb::MsMs 51807 Specdb::MsMs 51808 Specdb::MsMs 51809 Specdb::MsMs 166908 Specdb::MsMs 166909 Specdb::MsMs 166910 Specdb::MsMs 2300148 Specdb::MsMs 2300149 Specdb::MsMs 2300150 Specdb::MsMs 2638828 Specdb::MsMs 2638829 Specdb::MsMs 2638830 HMDB33271 #<Reference:0x000055ce30ec4ec0> Green vegetables Unknown generic Herbs and Spices Unknown generic