1.02010-04-08 22:13:36 UTC2019-11-26 03:15:56 UTCFDB018258Pyrafoline DAlkaloid from seeds of Murraya koenigii (curryleaf tree). Pyrafoline D is found in herbs and spices.IsomahaninePyrafoline DPyrayafoline DC23H25NO2347.4501347.1885290493,8-dimethyl-3-(4-methylpent-3-en-1-yl)-3H,11H-pyrano[3,2-a]carbazol-9-ol3,8-dimethyl-3-(4-methylpent-3-en-1-yl)-11H-pyrano[3,2-a]carbazol-9-ol138876-26-3CC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C=C2)C2=C(N1)C=C(O)C(C)=C2InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-17-21(26-23)8-7-16-18-12-15(3)20(25)13-19(18)24-22(16)17/h6-9,11-13,24-25H,5,10H2,1-4H3WWXYBSVWYPHUPZ-UHFFFAOYSA-N belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.CarbazolesOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesCarbazolesAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesHydroxyindolesIndolesOrganonitrogen compoundsOrganopnictogen compoundsOxacyclic compoundsPyrroles1-benzopyran1-hydroxy-2-unsubstituted benzenoidAlkyl aryl etherAromatic heteropolycyclic compoundAzacycleBenzenoidBenzopyranCarbazoleEtherHeteroaromatic compoundHydrocarbon derivativeHydroxyindoleIndoleOrganic nitrogen compoundOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOxacyclePyrrolelogp5.86logs-6.12solubility2.66e-04 g/lmelting_pointMp 184°logp5.94pka_strongest_acidic9.78pka_strongest_basic-4.9iupac3,8-dimethyl-3-(4-methylpent-3-en-1-yl)-3H,11H-pyrano[3,2-a]carbazol-9-olaverage_mass347.4501mono_mass347.188529049smilesCC(C)=CCCC1(C)OC2=C(C=C1)C1=C(C=C2)C2=C(N1)C=C(O)C(C)=C2formulaC23H25NO2inchiInChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-17-21(26-23)8-7-16-18-12-15(3)20(25)13-19(18)24-22(16)17/h6-9,11-13,24-25H,5,10H2,1-4H3inchikeyWWXYBSVWYPHUPZ-UHFFFAOYSA-Npolar_surface_area45.25refractivity108.61polarizability41.47rotatable_bond_count3acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::CMs24240Specdb::CMs46087Specdb::CMs137865Specdb::CMs145599Specdb::MsMs92349Specdb::MsMs92350Specdb::MsMs92351Specdb::MsMs155943Specdb::MsMs155944Specdb::MsMs155945Specdb::MsMs374606Specdb::MsMs451229Specdb::MsMs2417902Specdb::MsMs2417903Specdb::MsMs2417904Specdb::MsMs2548255Specdb::MsMs2548256Specdb::MsMs2548257HMDB38828#<Reference:0x0000555674549a78>Herbs and SpicesUnknowngeneric