1.02010-04-08 22:10:15 UTC2019-11-26 03:07:07 UTCFDB012574SeselinConstituent of Carum roxburghianum (Bishop's weed). Seselin is found in many foods, some of which are sweet orange, herbs and spices, anise, and wild celery.2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 8,8-dimethyl-2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 8,8-dimethyl-3',4'-Di-O-(-)-camphanoyl-(+)-cis-khellactone8,8-Dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one8,8-Dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one8,8-Dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9CI8,8-Dimethyl-2H,8H-pyrano[2,3-f]chromen-2-oneAmyrolinPyranocoumarin deriv.SeselineC14H12O3228.247228.0786442468,8-dimethyl-2H,8H-pyrano[2,3-h]chromen-2-one8,8-dimethylpyrano[2,3-h]chromen-2-one523-59-1CC1(C)OC2=C(C=C1)C1=C(C=CC(=O)O1)C=C2InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3QUVCQYQEIOLHFZ-UHFFFAOYSA-N belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.Angular pyranocoumarinsOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesPyranocoumarinsAromatic heteropolycyclic compounds2,2-dimethyl-1-benzopyransAlkyl aryl ethersBenzenoidsHeteroaromatic compoundsHydrocarbon derivativesLactonesOrganic oxidesOxacyclic compoundsPyranochromenesPyranones and derivatives1-benzopyran2,2-dimethyl-1-benzopyranAlkyl aryl etherAngular pyranocoumarinAromatic heteropolycyclic compoundBenzenoidBenzopyranEtherHeteroaromatic compoundHydrocarbon derivativeLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePyranPyranochromenePyranonecoumarinscoumarinslogp3.00logs-3.76solubility4.00e-02 g/lmelting_pointMp 119-120°logp2.68pka_strongest_basic-4.9iupac8,8-dimethyl-2H,8H-pyrano[2,3-h]chromen-2-oneaverage_mass228.247mono_mass228.078644246smilesCC1(C)OC2=C(C=C1)C1=C(C=CC(=O)O1)C=C2formulaC14H12O3inchiInChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3inchikeyQUVCQYQEIOLHFZ-UHFFFAOYSA-Npolar_surface_area35.53refractivity65.94polarizability23.91rotatable_bond_count0acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs5751Specdb::CMs168642Specdb::MsMs78219Specdb::MsMs78220Specdb::MsMs78221Specdb::MsMs138510Specdb::MsMs138511Specdb::MsMs138512Specdb::MsMs2409742Specdb::MsMs2409743Specdb::MsMs2409744Specdb::MsMs2555383Specdb::MsMs2555384Specdb::MsMs2555385HMDB34257#<Reference:0x0000555675aa8338>AniseType 1specificPimpinella anisum271192FennelType 1specificFoeniculum vulgare48038Herbs and SpicesUnknowngenericLemonType 1specificCitrus limon2708Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata85571Sweet orangeType 1specificCitrus sinensis2711Wild celeryType 1specificApium graveolens4045anti leukemic393A substance that inhibits or prevents the proliferation of neoplasms.fungicide940A substance used to destroy fungal pests.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.