1.0 2010-04-08 22:10:41 UTC 2019-11-26 03:08:22 UTC FDB013403 Lansiumarin A Constituent of Clausena lansium (wampee). Lansiumarin A is found in fruits. Lansiumarin A C21H20O5 352.3805 352.13107375 9-{[(2E)-3,7-dimethyl-6-oxoocta-2,7-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one 9-{[(2E)-3,7-dimethyl-6-oxoocta-2,7-dien-1-yl]oxy}furo[3,2-g]chromen-7-one 205115-73-7 C\C(CCC(=O)C(C)=C)=C/COC1=C2OC(=O)C=CC2=CC2=C1OC=C2 InChI=1S/C21H20O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12H,1,4,6,10H2,2-3H3/b14-8+ XWVDCVZOOVTJKF-RIYZIHGNSA-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 Acryloyl compounds Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Benzenoids Benzofurans Enones Furans Heteroaromatic compounds Hydrocarbon derivatives Ketones Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Carbonyl group Enone Ether Furan Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Psoralen Pyran Pyranone logp 3.91 ALOGPS logs -4.43 ALOGPS solubility 1.30e-02 g/l ALOGPS logp 4.2 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 9-{[(2E)-3,7-dimethyl-6-oxoocta-2,7-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 352.3805 ChemAxon mono_mass 352.13107375 ChemAxon smiles C\C(CCC(=O)C(C)=C)=C/COC1=C2OC(=O)C=CC2=CC2=C1OC=C2 ChemAxon formula C21H20O5 ChemAxon inchi InChI=1S/C21H20O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12H,1,4,6,10H2,2-3H3/b14-8+ ChemAxon inchikey XWVDCVZOOVTJKF-RIYZIHGNSA-N ChemAxon polar_surface_area 65.74 ChemAxon refractivity 99.39 ChemAxon polarizability 37.69 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17713 Specdb::CMs 153365 Specdb::MsMs 53976 Specdb::MsMs 53977 Specdb::MsMs 53978 Specdb::MsMs 150735 Specdb::MsMs 150736 Specdb::MsMs 150737 Specdb::MsMs 2360645 Specdb::MsMs 2360646 Specdb::MsMs 2360647 Specdb::MsMs 2605415 Specdb::MsMs 2605416 Specdb::MsMs 2605417 HMDB34837 #<Reference:0x000055ce3270ae30> Fruits Unknown generic