1.0 2010-04-08 22:10:41 UTC 2019-11-26 03:08:22 UTC FDB013402 Lansiumarin B Constituent of Clausena lansium (wampee). Lansiumarin B is found in fruits. Lansiumarin B C21H22O6 370.3958 370.141638436 9-{[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one 9-{[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}furo[3,2-g]chromen-7-one 205115-74-8 C\C(C\C=C\C(C)(C)OO)=C/COC1=C2OC(=O)C=CC2=CC2=C1OC=C2 InChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+ NNZMYFZCHMIZMN-OVXNXNIRSA-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 Alkyl hydroperoxides Benzenoids Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Peroxols Pyranones and derivatives 1-benzopyran Alkyl aryl ether Alkyl hydroperoxide Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Ether Furan Heteroaromatic compound Hydrocarbon derivative Hydroperoxide Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Peroxol Psoralen Pyran Pyranone logp 4.52 ALOGPS logs -4.35 ALOGPS solubility 1.65e-02 g/l ALOGPS logp 3.98 ChemAxon pka_strongest_acidic 11.7 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 9-{[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 370.3958 ChemAxon mono_mass 370.141638436 ChemAxon smiles C\C(C\C=C\C(C)(C)OO)=C/COC1=C2OC(=O)C=CC2=CC2=C1OC=C2 ChemAxon formula C21H22O6 ChemAxon inchi InChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+ ChemAxon inchikey NNZMYFZCHMIZMN-OVXNXNIRSA-N ChemAxon polar_surface_area 78.13 ChemAxon refractivity 103.07 ChemAxon polarizability 39.32 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20520 Specdb::CMs 131734 Specdb::CMs 139468 Specdb::MsMs 69252 Specdb::MsMs 69253 Specdb::MsMs 69254 Specdb::MsMs 127485 Specdb::MsMs 127486 Specdb::MsMs 127487 Specdb::MsMs 2825614 Specdb::MsMs 2825615 Specdb::MsMs 2825616 Specdb::MsMs 2856567 Specdb::MsMs 2856568 Specdb::MsMs 2856569 HMDB34836 #<Reference:0x000055ce32aeb220> Fruits Unknown generic