1.0 2010-04-08 22:13:47 UTC 2019-11-26 03:16:19 UTC FDB018555 9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen Constituent of Citrus medica (citron). 9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen is found in citrus. 4-[3,7-Dimethylocta-2,6-dienoxy]-9-methoxyfuro[3,2-g]chromen-7-one 9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen 9-Hydroxy-4-O-(3,7-dimethyl-2,6-octadienyloxy)-psoralen Protorifamycin I C22H24O5 368.423 368.162373878 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-9-methoxy-7H-furo[3,2-g]chromen-7-one 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-9-methoxyfuro[3,2-g]chromen-7-one 69239-53-8 COC1=C2OC(=O)C=CC2=C(OC\C=C(/C)CCC=C(C)C)C2=C1OC=C2 InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+ OQHQALGVQDTJDN-XNTDXEJSSA-N belongs to the class of organic compounds known as 8-methoxypsoralens. These are psoralens containing a methoxy group attached at the C8 position of the psoralen group. 8-methoxypsoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Anisoles Aromatic monoterpenoids Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Terpene lactones 1-benzopyran 8-methoxypsoralen Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aromatic monoterpenoid Benzenoid Benzofuran Benzopyran Ether Furan Heteroaromatic compound Hydrocarbon derivative Lactone Monoterpenoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Terpene lactone logp 4.94 ALOGPS logs -4.44 ALOGPS solubility 1.33e-02 g/l ALOGPS melting_point Mp 74.5-75.5° logp 4.65 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-9-methoxy-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 368.423 ChemAxon mono_mass 368.162373878 ChemAxon smiles COC1=C2OC(=O)C=CC2=C(OC\C=C(/C)CCC=C(C)C)C2=C1OC=C2 ChemAxon formula C22H24O5 ChemAxon inchi InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+ ChemAxon inchikey OQHQALGVQDTJDN-XNTDXEJSSA-N ChemAxon polar_surface_area 57.9 ChemAxon refractivity 106.24 ChemAxon polarizability 40.68 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12971 Specdb::CMs 135579 Specdb::CMs 143313 Specdb::MsMs 98712 Specdb::MsMs 98713 Specdb::MsMs 98714 Specdb::MsMs 163686 Specdb::MsMs 163687 Specdb::MsMs 163688 Specdb::MsMs 2660227 Specdb::MsMs 2660228 Specdb::MsMs 2660229 Specdb::MsMs 3018363 Specdb::MsMs 3018364 Specdb::MsMs 3018365 HMDB39057 #<Reference:0x000055ce3219a798> Citrus Unknown generic