1.0 2010-04-08 22:11:55 UTC 2025-11-19 00:56:00 UTC FDB015547 Cnidicin Cnidicin, also known as 58-diprenyloxypsoralen, is a member of the class of compounds known as psoralens. Psoralens 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. Cnidicin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cnidicin can be found in lemon, which makes cnidicin a potential biomarker for the consumption of this food product. Bis-O-(3-methyl-2-butenyloxy)-7H-furo[3,2-g][1]benzopyran-7-one Cnidicin Knidicin C21H22O5 354.3964 354.146723814 4,9-bis[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one 4,9-bis[(3-methylbut-2-en-1-yl)oxy]furo[3,2-g]chromen-7-one 14348-21-1 CC(C)=CCOC1=C2OC(=O)C=CC2=C(OCC=C(C)C)C2=C1OC=C2 InChI=1S/C21H22O5/c1-13(2)7-10-23-18-15-5-6-17(22)26-20(15)21(25-11-8-14(3)4)19-16(18)9-12-24-19/h5-9,12H,10-11H2,1-4H3 HJMDOAWWVCOEDW-UHFFFAOYSA-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-benzopyrans Alkyl aryl ethers Benzenoids Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Ether Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Psoralen Pyran Pyranone logp 4.37 ALOGPS logs -4.26 ALOGPS solubility 1.96e-02 g/l ALOGPS melting_point Mp 78-79° logp 4.35 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4,9-bis[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 354.3964 ChemAxon mono_mass 354.146723814 ChemAxon smiles CC(C)=CCOC1=C2OC(=O)C=CC2=C(OCC=C(C)C)C2=C1OC=C2 ChemAxon formula C21H22O5 ChemAxon inchi InChI=1S/C21H22O5/c1-13(2)7-10-23-18-15-5-6-17(22)26-20(15)21(25-11-8-14(3)4)19-16(18)9-12-24-19/h5-9,12H,10-11H2,1-4H3 ChemAxon inchikey HJMDOAWWVCOEDW-UHFFFAOYSA-N ChemAxon polar_surface_area 57.9 ChemAxon refractivity 101.55 ChemAxon polarizability 38.78 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 53664 Specdb::MsMs 53665 Specdb::MsMs 53666 Specdb::MsMs 131262 Specdb::MsMs 131263 Specdb::MsMs 131264 Specdb::MsMs 3605818 Specdb::MsMs 3605819 Specdb::MsMs 3605820 Specdb::MsMs 3605821 Specdb::MsMs 3605822 Specdb::MsMs 3605823 Lemon Type 1 specific Citrus limon 2708