1.02010-04-08 22:05:28 UTC2020-02-24 19:11:07 UTCFDB002652Daphnetin7,8-dihydroxy-2h-chromen-2-one, also known as daphnetin or 7,8-dihydroxycoumarin, is a member of the class of compounds known as 7,8-dihydroxycoumarins. 7,8-dihydroxycoumarins are coumarins bearing two hydroxyl groups at the C7- and C8-positions of the coumarin skeleton, respectively. 7,8-dihydroxy-2h-chromen-2-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 7,8-dihydroxy-2h-chromen-2-one can be found in chickpea and watermelon, which makes 7,8-dihydroxy-2h-chromen-2-one a potential biomarker for the consumption of these food products. 7,8-Dihydroxycoumarin, 8CIDaphnetinDaphnetolC9H6O4178.1415178.026608687,8-dihydroxy-2H-chromen-2-onedaphnetin486-35-1OC1=C(O)C2=C(C=CC(=O)O2)C=C1InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12HATEFPOUAMCWAQS-UHFFFAOYSA-N belongs to the class of organic compounds known as 7,8-dihydroxycoumarins. These are coumarins bearing two hydroxyl groups at the C7- and C8-positions of the coumarin skeleton, respectively.7,8-dihydroxycoumarinsOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesHydroxycoumarinsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids7-hydroxycoumarinsHeteroaromatic compoundsHydrocarbon derivativesLactonesOrganic oxidesOrganooxygen compoundsOxacyclic compoundsPyranones and derivatives1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid7,8-dihydroxycoumarin7-hydroxycoumarinAromatic heteropolycyclic compoundBenzenoidBenzopyranHeteroaromatic compoundHydrocarbon derivativeLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePyranPyranonea small moleculecoumarinshydroxycoumarinlogp1.49logs-1.64solubility4.10e+00 g/llogp1.83pka_strongest_acidic8.05pka_strongest_basic-4.7iupac7,8-dihydroxy-2H-chromen-2-oneaverage_mass178.1415mono_mass178.02660868smilesOC1=C(O)C2=C(C=CC(=O)O2)C=C1formulaC9H6O4inchiInChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12HinchikeyATEFPOUAMCWAQS-UHFFFAOYSA-Npolar_surface_area66.76refractivity45.51polarizability16.23rotatable_bond_count0acceptor_count3donor_count2physiological_charge0formal_charge0Specdb::MsIr11070Specdb::MsIr11071Specdb::MsIr11072Specdb::MsMs76341Specdb::MsMs76342Specdb::MsMs76343Specdb::MsMs136149Specdb::MsMs136150Specdb::MsMs136151Specdb::MsMs3043066Specdb::MsMs3043067Specdb::MsMs3043068Specdb::MsMs3097951Specdb::MsMs3097952Specdb::MsMs3097953Specdb::CMs54266Specdb::CMs64542Specdb::CMs133834Specdb::CMs141568ChickpeaType 1specificCicer arietinum3827WatermelonType 1specificCitrullus lanatus3654analgesic56An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.anti bacterial145A substance that kills or slows the growth of bacteria.cholagogue800immunostimulant1032A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.