1.0 2010-04-08 22:05:28 UTC 2025-11-18 22:39:06 UTC FDB002652 Daphnetin 7,8-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, 8CI Daphnetin Daphnetol C9H6O4 178.1415 178.02660868 7,8-dihydroxy-2H-chromen-2-one daphnetin 486-35-1 OC1=C(O)C2=C(C=CC(=O)O2)C=C1 InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H ATEFPOUAMCWAQS-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-dihydroxycoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 7-hydroxycoumarins Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 7,8-dihydroxycoumarin 7-hydroxycoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone a small molecule coumarins hydroxycoumarin logp 1.49 ALOGPS logs -1.64 ALOGPS solubility 4.10e+00 g/l ALOGPS logp 1.83 ChemAxon pka_strongest_acidic 8.05 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 7,8-dihydroxy-2H-chromen-2-one ChemAxon average_mass 178.1415 ChemAxon mono_mass 178.02660868 ChemAxon smiles OC1=C(O)C2=C(C=CC(=O)O2)C=C1 ChemAxon formula C9H6O4 ChemAxon inchi InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H ChemAxon inchikey ATEFPOUAMCWAQS-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 45.51 ChemAxon polarizability 16.23 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 54266 Specdb::CMs 64542 Specdb::CMs 133834 Specdb::CMs 141568 Specdb::MsIr 11070 Specdb::MsIr 11071 Specdb::MsIr 11072 Specdb::MsMs 76341 Specdb::MsMs 76342 Specdb::MsMs 76343 Specdb::MsMs 136149 Specdb::MsMs 136150 Specdb::MsMs 136151 Specdb::MsMs 3043066 Specdb::MsMs 3043067 Specdb::MsMs 3043068 Specdb::MsMs 3097951 Specdb::MsMs 3097952 Specdb::MsMs 3097953 Chickpea Type 1 specific Cicer arietinum 3827 Watermelon Type 1 specific Citrullus lanatus 3654 Analgesic 56 An 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 bacterial 145 A substance that kills or slows the growth of bacteria. Cholagogue 800 Immunostimulant 1032 A 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. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.