1.02010-04-08 22:10:17 UTC2019-11-26 03:07:20 UTCFDB012661IsopimpinellinPresent in the seeds of Pastinaca sativa (parsnip). Isopimpinellin is found in many foods, some of which are carrot, anise, celery stalks, and fennel.4,9-Dimethoxy-7-oxofuro[3,2-g]chromene4,9-dimethoxy-7H-furo(3,2-G) (1)benzopyran-7-one4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one, 9CI4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one4,9-Dimethoxy-furo[3,2-g]chromen-7-one4,9-Dimethoxypsoralen5, 8-Dimethoxypsoralene5,8-Dimethoxy-6,7-furanocoumarin5,8-Dimethoxypsoralen5,8-Dimethoxypsoralene7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8CI)7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dimethoxy-DimethylpsoralenIsopimpinellin (4,9-Dimethoxypsoralen)C13H10O5246.218246.0528234224,9-dimethoxy-7H-furo[3,2-g]chromen-7-oneisopimpinellin482-27-9COC1=C2OC=CC2=C(OC)C2=C1OC(=O)C=C2InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3DFMAXQKDIGCMTL-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-methoxypsoralens. These are psoralens containing a methoxy group attached at the C8 position of the psoralen group.8-methoxypsoralensOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesFuranocoumarinsAromatic heteropolycyclic compounds1-benzopyrans5-methoxypsoralensAlkyl aryl ethersAnisolesBenzofuransFuransHeteroaromatic compoundsHydrocarbon derivativesLactonesOrganic oxidesOxacyclic compoundsPyranones and derivatives1-benzopyran5-methoxypsoralen8-methoxypsoralenAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzofuranBenzopyranEtherFuranHeteroaromatic compoundHydrocarbon derivativeLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePyranPyranoneFuranocoumarinspsoralenslogp2.01logs-3.23solubility1.46e-01 g/lmelting_pointMp 151°logp1.63pka_strongest_basic-2.9iupac4,9-dimethoxy-7H-furo[3,2-g]chromen-7-oneaverage_mass246.218mono_mass246.052823422smilesCOC1=C2OC=CC2=C(OC)C2=C1OC(=O)C=C2formulaC13H10O5inchiInChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3inchikeyDFMAXQKDIGCMTL-UHFFFAOYSA-Npolar_surface_area57.9refractivity63.32polarizability23.84rotatable_bond_count2acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::EiMs220Specdb::CMs5614Specdb::CMs132160Specdb::CMs139894Specdb::MsMs52221Specdb::MsMs52222Specdb::MsMs52223Specdb::MsMs138516Specdb::MsMs138517Specdb::MsMs138518Specdb::MsMs449928Specdb::MsMs449929Specdb::MsMs449930Specdb::MsMs449931Specdb::MsMs449932Specdb::MsMs449933Specdb::MsMs451206Specdb::MsMs452169Specdb::MsMs452170Specdb::MsMs2256381Specdb::MsMs2258381Specdb::MsMs2260210Specdb::MsMs2842593Specdb::MsMs2842594Specdb::MsMs2842595Specdb::MsMs2866722Specdb::MsMs2866723Specdb::MsMs2866724HMDB3431228853#<Reference:0x0000555675fc5c80>AngelicaType 1specificAngelica keiskei357850AniseType 1specificPimpinella anisum271192CarrotType 1specificDaucus carota ssp. sativus79200Celery stalksType 1specificApium graveolens var. dulce1177810.6352860.6352857180.635285718mg/100 gFennelType 1specificFoeniculum vulgare480380.050.050.05mg/100 gLemonType 1specificCitrus limon2708LimeType 1specificCitrus aurantiifolia159033ParsleyType 1specificPetroselinum crispum40434.2658336.0825000412.75mg/100 gParsnipType 1specificPastinaca sativa4041Root vegetablesUnknowngenericWild carrotType 1specificDaucus carota4039Wild celeryType 1specificApium graveolens4045anti appetant126An agent which regulates the physiologic mechanisms that control the appetite and food intake.anti feedant275anti inflammatory370A substance that reduces or suppresses inflammation.anti lipogenic405anti mitotic441anti tubercular670A substance that kills or slows the growth of bacteria.calcium antagonist748Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.cancer preventive754A substance that inhibits or prevents the proliferation of neoplasms.diuretic883An agent that promotes the excretion of urine through its effects on kidney function.fungicide940A substance used to destroy fungal pests.insecticide1040Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.molluscicide1113A substance used to destroy pests of the phylum Mollusca.mutagenic1125pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.piscicide1228