1.0 2010-04-08 22:13:47 UTC 2025-11-19 02:12:17 UTC FDB018565 4-[(6,7-Dihydroxy-3,7-dimethyl-2-octenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one Isolated from Citrus macroptera whole fruits, a non-commercial species of the South Pacific. 4-[(6,7-Dihydroxy-3,7-dimethyl-2-octenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one is found in citrus. 4-[(6,7-Dihydroxy-3,7-dimethyl-2-octenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one 6',7'-Dihydroxybergamottin (incorr.) Lepiochlorin C21H24O6 372.417 372.157288493 4-{[(2Z)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one 4-{[(2Z)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one 71339-34-9 C\C(CCC(O)C(C)(C)O)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2 InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8- IXZUPBUEKFXTSD-JYRVWZFOSA-N belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Psoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1,2-diols 1-benzopyrans Alkyl aryl ethers Benzenoids Benzofurans Fatty alcohols Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols Tertiary alcohols 1,2-diol 1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Ether Fatty acyl Fatty alcohol Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Psoralen Pyran Pyranone Secondary alcohol Tertiary alcohol logp 3.40 ALOGPS logs -3.93 ALOGPS solubility 4.41e-02 g/l ALOGPS melting_point Mp 104-106° logp 2.67 ChemAxon pka_strongest_acidic 13.84 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 4-{[(2Z)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 372.417 ChemAxon mono_mass 372.157288493 ChemAxon smiles C\C(CCC(O)C(C)(C)O)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2 ChemAxon formula C21H24O6 ChemAxon inchi InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8- ChemAxon inchikey IXZUPBUEKFXTSD-JYRVWZFOSA-N ChemAxon polar_surface_area 89.13 ChemAxon refractivity 102.12 ChemAxon polarizability 39.65 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20560 Specdb::CMs 46243 Specdb::CMs 148891 Specdb::MsMs 76185 Specdb::MsMs 76186 Specdb::MsMs 76187 Specdb::MsMs 135960 Specdb::MsMs 135961 Specdb::MsMs 135962 Specdb::MsMs 2403971 Specdb::MsMs 2403972 Specdb::MsMs 2403973 Specdb::MsMs 2534196 Specdb::MsMs 2534197 Specdb::MsMs 2534198 HMDB39066 #<Reference:0x000055ce3240ef38> Citrus Unknown generic