1.0 2010-04-08 22:11:55 UTC 2019-11-26 03:11:48 UTC FDB015546 9-Hydroxy-4-methoxypsoralen Isolated from Casimiroa edulis (Mexican apple). 9-Hydroxy-4-methoxypsoralen is found in wild celery and pomes. 5-Methoxy-8-hydroxy-psoralen 8-Hydroxy-5-methoxypsoralen 8-Hydroxybergapten 9-Hydroxy-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one 9-Hydroxy-4-methoxyfuro[3,2-g][1]benzopyran-7-one, 9CI 9-Hydroxy-4-methoxypsoralen 9-Hydroxy-5-methoxypsoralen 9-Hydroxybergapten Carbonyl selenide C12H8O5 232.1889 232.037173366 9-hydroxy-4-methoxy-7H-furo[3,2-g]chromen-7-one 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one 1603-47-0 COC1=C2C=CC(=O)OC2=C(O)C2=C1C=CO2 InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3 MVJHUMZXIJPVHV-UHFFFAOYSA-N belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group. 5-methoxypsoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans 8-hydroxypsoralens Alkyl aryl ethers Anisoles Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 5-methoxypsoralen 8-hydroxypsoralen Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Ether Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 1.86 ALOGPS logs -2.56 ALOGPS solubility 6.38e-01 g/l ALOGPS melting_point Mp 222.5-223° logp 2.13 ChemAxon pka_strongest_acidic 8.45 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 9-hydroxy-4-methoxy-7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 232.1889 ChemAxon mono_mass 232.037173366 ChemAxon smiles COC1=C2C=CC(=O)OC2=C(O)C2=C1C=CO2 ChemAxon formula C12H8O5 ChemAxon inchi InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3 ChemAxon inchikey MVJHUMZXIJPVHV-UHFFFAOYSA-N ChemAxon polar_surface_area 68.9 ChemAxon refractivity 58.83 ChemAxon polarizability 21.82 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23439 Specdb::CMs 44938 Specdb::CMs 136860 Specdb::CMs 144594 Specdb::MsMs 8096 Specdb::MsMs 8097 Specdb::MsMs 8098 Specdb::MsMs 14768 Specdb::MsMs 14769 Specdb::MsMs 14770 Specdb::MsMs 2687321 Specdb::MsMs 2687322 Specdb::MsMs 2687323 Specdb::MsMs 2992106 Specdb::MsMs 2992107 Specdb::MsMs 2992108 HMDB36628 #<Reference:0x000055ce3001fb18> Pomes Unknown generic Wild celery Type 1 specific Apium graveolens 4045